Showing NP-Card for Phaseoloside E (NP0337747)
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Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2024-09-11 12:12:33 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2024-09-11 12:12:33 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0337747 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Phaseoloside E | |||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Based on a literature review very few articles have been published on Phaseoloside E. | |||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0337747 (Phaseoloside E)Mrv2104 05262314442D 118130 0 0 0 0 999 V2000 -4.3487 -5.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3921 4.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4527 4.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6368 2.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3499 2.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1658 -0.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4934 0.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7822 2.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7789 2.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0644 2.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0644 -0.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9210 1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6355 1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7789 0.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6368 3.6787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6368 2.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9223 1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2078 1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2078 3.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5118 -5.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6539 -2.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 -5.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0618 -0.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4908 -4.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1052 -0.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6342 -6.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4934 2.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2078 2.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2052 1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5118 -4.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6540 -3.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7961 -4.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7763 -1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7763 -4.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3500 0.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0644 1.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9210 0.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6342 -7.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2052 0.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2263 -4.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0619 -4.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 -7.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2263 -3.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6526 -4.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3684 -4.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5105 -3.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4908 -2.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2053 -7.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5118 -3.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6539 -4.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 -3.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2052 -2.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0631 1.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7776 -0.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3684 -3.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5105 -4.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7763 -2.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0632 0.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7776 1.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 -0.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6526 -3.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7776 2.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2053 -6.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7973 -3.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9395 -4.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2053 -1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0816 -3.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4921 0.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6342 0.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0618 -3.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9223 4.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9223 2.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3500 1.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6355 -0.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4934 1.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7789 1.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2263 -6.2213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9394 -2.0963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5105 -6.2213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6526 -1.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3874 -1.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4908 1.6162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3487 -7.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4908 -0.0338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9407 -4.9838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0618 -5.8087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 -8.2838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9408 -3.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3671 -4.9838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0829 -4.9838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -3.3338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4908 -3.3338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4908 -7.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5118 -2.5087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6539 -5.8088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7961 -2.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 -2.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3487 1.6162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7776 -0.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4921 2.8537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0631 2.8538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6342 1.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4908 -5.8088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 -5.8088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7974 -4.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9395 -3.7463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0816 -4.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4908 -0.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7763 -3.7463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2065 -0.0338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0829 -3.3338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -4.9838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0619 -2.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3487 -0.0338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4921 1.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 -0.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3671 -3.3338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10 9 2 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 16 15 1 0 0 0 0 18 17 2 0 0 0 0 27 1 1 0 0 0 0 28 9 1 0 0 0 0 29 19 1 0 0 0 0 29 28 1 0 0 0 0 30 24 1 0 0 0 0 31 20 1 0 0 0 0 32 21 1 0 0 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999 V2000 -4.3487 -5.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3921 4.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4527 4.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6368 2.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3499 2.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1658 -0.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4934 0.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7822 2.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7789 2.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0644 2.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0644 -0.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9210 1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6355 1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7789 0.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6368 3.6787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6368 2.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9223 1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2078 1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2078 3.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5118 -5.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6539 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C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7776 2.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2053 -6.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7973 -3.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9395 -4.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2053 -1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0816 -3.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4921 0.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6342 0.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0618 -3.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9223 4.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9223 2.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3500 1.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6355 -0.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4934 1.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7789 1.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2263 -6.2213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9394 -2.0963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5105 -6.2213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6526 -1.2713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3874 -1.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 -1.4908 -5.8088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 -5.8088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7974 -4.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9395 -3.7463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0816 -4.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4908 -0.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7763 -3.7463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2065 -0.0338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0829 -3.3338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -4.9838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0619 -2.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3487 -0.0338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4921 1.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 -0.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3671 -3.3338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10 9 2 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 16 15 1 0 0 0 0 18 17 2 0 0 0 0 27 1 1 0 0 0 0 28 9 1 0 0 0 0 29 19 1 0 0 0 0 29 28 1 0 0 0 0 30 24 1 0 0 0 0 31 20 1 0 0 0 0 32 21 1 0 0 0 0 33 22 1 0 0 0 0 34 23 1 0 0 0 0 35 25 1 0 0 0 0 36 11 1 0 0 0 0 37 10 1 0 0 0 0 38 12 1 0 0 0 0 39 27 1 0 0 0 0 40 30 1 0 0 0 0 41 31 1 0 0 0 0 42 35 1 0 0 0 0 43 39 1 0 0 0 0 44 41 1 0 0 0 0 45 42 1 0 0 0 0 49 43 1 0 0 0 0 50 44 1 0 0 0 0 51 46 1 0 0 0 0 52 47 1 0 0 0 0 53 48 1 0 0 0 0 56 32 1 0 0 0 0 56 46 1 0 0 0 0 57 33 1 0 0 0 0 57 47 1 0 0 0 0 58 34 1 0 0 0 0 58 48 1 0 0 0 0 59 54 1 0 0 0 0 59 55 1 0 0 0 0 60 54 1 0 0 0 0 61 40 1 0 0 0 0 62 45 1 0 0 0 0 63 60 1 0 0 0 0 64 49 1 0 0 0 0 65 50 1 0 0 0 0 66 51 1 0 0 0 0 67 53 1 0 0 0 0 68 52 1 0 0 0 0 69 55 1 0 0 0 0 70 61 1 0 0 0 0 71 62 1 0 0 0 0 72 2 1 0 0 0 0 72 3 1 0 0 0 0 72 15 1 0 0 0 0 72 19 1 0 0 0 0 73 4 1 0 0 0 0 73 16 1 0 0 0 0 73 17 1 0 0 0 0 73 29 1 0 0 0 0 74 5 1 0 0 0 0 74 13 1 0 0 0 0 74 36 1 0 0 0 0 74 37 1 0 0 0 0 75 6 1 0 0 0 0 75 26 1 0 0 0 0 75 36 1 0 0 0 0 75 38 1 0 0 0 0 76 7 1 0 0 0 0 76 18 1 0 0 0 0 76 28 1 0 0 0 0 77 8 1 0 0 0 0 77 14 1 0 0 0 0 77 37 1 0 0 0 0 77 76 1 0 0 0 0 78 20 1 0 0 0 0 79 21 1 0 0 0 0 80 22 1 0 0 0 0 81 23 1 0 0 0 0 82 26 1 0 0 0 0 83 30 1 0 0 0 0 84 39 1 0 0 0 0 85 40 1 0 0 0 0 86 41 1 0 0 0 0 87 42 1 0 0 0 0 88 43 1 0 0 0 0 89 44 1 0 0 0 0 90 45 1 0 0 0 0 91 46 1 0 0 0 0 92 47 1 0 0 0 0 93 48 1 0 0 0 0 94 49 1 0 0 0 0 95 50 1 0 0 0 0 96 51 1 0 0 0 0 97 52 1 0 0 0 0 98 53 1 0 0 0 0 99 54 1 0 0 0 0 100 55 1 0 0 0 0 101 63 2 0 0 0 0 102 63 1 0 0 0 0 103 24 1 0 0 0 0 103 70 1 0 0 0 0 104 25 1 0 0 0 0 104 64 1 0 0 0 0 105 27 1 0 0 0 0 105 64 1 0 0 0 0 106 31 1 0 0 0 0 106 65 1 0 0 0 0 107 32 1 0 0 0 0 107 66 1 0 0 0 0 108 33 1 0 0 0 0 108 68 1 0 0 0 0 109 34 1 0 0 0 0 109 67 1 0 0 0 0 110 35 1 0 0 0 0 110 71 1 0 0 0 0 111 38 1 0 0 0 0 111 69 1 0 0 0 0 112 56 1 0 0 0 0 112 65 1 0 0 0 0 113 57 1 0 0 0 0 113 66 1 0 0 0 0 114 58 1 0 0 0 0 114 71 1 0 0 0 0 115 59 1 0 0 0 0 115 70 1 0 0 0 0 116 60 1 0 0 0 0 116 69 1 0 0 0 0 117 61 1 0 0 0 0 117 67 1 0 0 0 0 118 62 1 0 0 0 0 118 68 1 0 0 0 0 M END > <DATABASE_ID> NP0337747 > <DATABASE_NAME> NP-MRD > <SMILES> CC1OC(OCC2OC(OC3C(O)C(O)C(OC4C(O)C(O)COC4OC4C(O)C(OC5CCC6(C)C(CCC7(C)C6C=CC6C8CC(C)(C)CCC8(C)C=CC76C)C5(C)CO)OC(C4O)C(O)=O)OC3CO)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O > <INCHI_IDENTIFIER> InChI=1/C77H124O41/c1-27-39(84)43(88)49(94)64(105-27)104-25-35-42(87)45(90)62(118-68-52(97)47(92)57(33(22-80)108-68)113-66-51(96)46(91)56(32(21-79)107-66)112-65-50(95)44(89)41(86)31(20-78)106-65)71(110-35)114-58-34(23-81)109-67(53(98)48(58)93)117-61-40(85)30(83)24-103-70(61)115-59-54(99)60(63(101)102)116-69(55(59)100)111-38-12-13-74(5)36(75(38,6)26-82)11-14-77(8)37(74)10-9-28-29-19-72(2,3)15-16-73(29,4)17-18-76(28,77)7/h9-10,17-18,27-62,64-71,78-100H,11-16,19-26H2,1-8H3,(H,101,102) > <INCHI_KEY> PZPHULADDDWLGC-UHFFFAOYNA-N > <FORMULA> C77H124O41 > <MOLECULAR_WEIGHT> 1705.798 > <EXACT_MASS> 1704.761803413 > <JCHEM_ACCEPTOR_COUNT> 41 > <JCHEM_ATOM_COUNT> 242 > <JCHEM_AVERAGE_POLARIZABILITY> 171.91226328559776 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 24 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 4-[(3-{[5-({3-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-3,5-dihydroxy-6-{[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,8a,9,10,11,12,12a,12b,14a,14b-octadecahydropicen-3-yl]oxy}oxane-2-carboxylic acid > <JCHEM_LOGP> -6.3650598729999945 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 13 > <JCHEM_PHYSIOLOGICAL_CHARGE> -1 > <JCHEM_PKA> 11.592710712814949 > <JCHEM_PKA_STRONGEST_ACIDIC> 3.3483467629006864 > <JCHEM_PKA_STRONGEST_BASIC> -3.9472037545191463 > <JCHEM_POLAR_SURFACE_AREA> 650.2700000000004 > <JCHEM_REFRACTIVITY> 386.73279999999954 > <JCHEM_ROTATABLE_BOND_COUNT> 23 > <JCHEM_RULE_OF_FIVE> 0 > <JCHEM_TRADITIONAL_IUPAC> 4-[(3-{[5-({3-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-3,5-dihydroxy-6-{[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,9,10,12,12a,12b,14a-dodecahydropicen-3-yl]oxy}oxane-2-carboxylic acid > <JCHEM_VEBER_RULE> 0 $$$$ PDB for NP0337747 (Phaseoloside E)HEADER PROTEIN 26-MAY-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 26-MAY-23 0 HETATM 1 C UNK 0 -8.118 -10.843 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -23.132 8.817 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -25.112 8.817 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -25.455 3.787 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -17.453 3.787 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -17.109 -1.243 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -21.454 1.477 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -20.127 3.839 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -20.121 5.327 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -18.787 4.557 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -18.787 -0.063 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -14.786 2.247 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -16.120 3.017 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -20.121 0.707 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -25.455 6.867 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 -25.455 5.327 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -24.122 3.017 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 -22.788 2.247 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -22.788 6.867 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 15.889 -10.843 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 10.554 -4.683 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 5.219 -10.843 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -0.115 -1.603 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -5.450 3.017 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -2.783 -9.303 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -15.130 -1.243 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -6.784 -11.613 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -21.454 4.557 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -22.788 5.327 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -4.116 2.247 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 15.889 -9.303 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 10.554 -6.223 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 5.219 -9.303 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -1.449 -2.373 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -1.449 -8.533 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -17.453 0.707 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -18.787 3.017 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -14.786 0.707 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -6.784 -13.153 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -4.116 0.707 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 17.222 -8.533 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -0.116 -9.303 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 -5.450 -13.923 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 17.222 -6.993 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 1.218 -8.533 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 11.888 -8.533 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 6.553 -6.993 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 -2.783 -4.683 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 -4.117 -13.153 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 15.889 -6.223 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 10.554 -9.303 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 5.219 -6.223 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 -4.116 -3.913 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 -9.451 2.247 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 -10.785 -0.063 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 11.888 -6.993 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 6.553 -8.533 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 -1.449 -3.913 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 -9.451 0.707 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 -10.785 3.017 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 -5.450 -0.063 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 1.218 -6.993 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 -10.785 4.557 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 -4.117 -11.613 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 14.555 -6.993 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 9.220 -8.533 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 -4.117 -2.373 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 3.886 -6.993 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 -12.119 0.707 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 -6.784 0.707 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 -0.115 -6.223 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 -24.122 7.637 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 -24.122 4.557 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 -17.453 2.247 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 -16.120 -0.063 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 -21.454 3.017 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 -20.121 2.247 0.000 0.00 0.00 C+0 HETATM 78 O UNK 0 17.222 -11.613 0.000 0.00 0.00 O+0 HETATM 79 O UNK 0 9.220 -3.913 0.000 0.00 0.00 O+0 HETATM 80 O UNK 0 6.553 -11.613 0.000 0.00 0.00 O+0 HETATM 81 O UNK 0 1.218 -2.373 0.000 0.00 0.00 O+0 HETATM 82 O UNK 0 -15.656 -2.690 0.000 0.00 0.00 O+0 HETATM 83 O UNK 0 -2.783 3.017 0.000 0.00 0.00 O+0 HETATM 84 O UNK 0 -8.118 -13.923 0.000 0.00 0.00 O+0 HETATM 85 O UNK 0 -2.783 -0.063 0.000 0.00 0.00 O+0 HETATM 86 O UNK 0 18.556 -9.303 0.000 0.00 0.00 O+0 HETATM 87 O UNK 0 -0.115 -10.843 0.000 0.00 0.00 O+0 HETATM 88 O UNK 0 -5.450 -15.463 0.000 0.00 0.00 O+0 HETATM 89 O UNK 0 18.556 -6.223 0.000 0.00 0.00 O+0 HETATM 90 O UNK 0 2.552 -9.303 0.000 0.00 0.00 O+0 HETATM 91 O UNK 0 13.221 -9.303 0.000 0.00 0.00 O+0 HETATM 92 O UNK 0 7.887 -6.223 0.000 0.00 0.00 O+0 HETATM 93 O UNK 0 -2.783 -6.223 0.000 0.00 0.00 O+0 HETATM 94 O UNK 0 -2.783 -13.923 0.000 0.00 0.00 O+0 HETATM 95 O UNK 0 15.889 -4.683 0.000 0.00 0.00 O+0 HETATM 96 O UNK 0 10.554 -10.843 0.000 0.00 0.00 O+0 HETATM 97 O UNK 0 5.219 -4.683 0.000 0.00 0.00 O+0 HETATM 98 O UNK 0 -5.450 -4.683 0.000 0.00 0.00 O+0 HETATM 99 O UNK 0 -8.118 3.017 0.000 0.00 0.00 O+0 HETATM 100 O UNK 0 -10.785 -1.603 0.000 0.00 0.00 O+0 HETATM 101 O UNK 0 -12.119 5.327 0.000 0.00 0.00 O+0 HETATM 102 O UNK 0 -9.451 5.327 0.000 0.00 0.00 O+0 HETATM 103 O UNK 0 -6.784 2.247 0.000 0.00 0.00 O+0 HETATM 104 O UNK 0 -2.783 -10.843 0.000 0.00 0.00 O+0 HETATM 105 O UNK 0 -5.450 -10.843 0.000 0.00 0.00 O+0 HETATM 106 O UNK 0 14.555 -8.533 0.000 0.00 0.00 O+0 HETATM 107 O UNK 0 9.220 -6.993 0.000 0.00 0.00 O+0 HETATM 108 O UNK 0 3.886 -8.533 0.000 0.00 0.00 O+0 HETATM 109 O UNK 0 -2.783 -1.603 0.000 0.00 0.00 O+0 HETATM 110 O UNK 0 -1.449 -6.993 0.000 0.00 0.00 O+0 HETATM 111 O UNK 0 -13.452 -0.063 0.000 0.00 0.00 O+0 HETATM 112 O UNK 0 13.221 -6.223 0.000 0.00 0.00 O+0 HETATM 113 O UNK 0 7.887 -9.303 0.000 0.00 0.00 O+0 HETATM 114 O UNK 0 -0.116 -4.683 0.000 0.00 0.00 O+0 HETATM 115 O UNK 0 -8.118 -0.063 0.000 0.00 0.00 O+0 HETATM 116 O UNK 0 -12.119 2.247 0.000 0.00 0.00 O+0 HETATM 117 O UNK 0 -5.450 -1.603 0.000 0.00 0.00 O+0 HETATM 118 O UNK 0 2.552 -6.223 0.000 0.00 0.00 O+0 CONECT 1 27 CONECT 2 72 CONECT 3 72 CONECT 4 73 CONECT 5 74 CONECT 6 75 CONECT 7 76 CONECT 8 77 CONECT 9 10 28 CONECT 10 9 37 CONECT 11 14 36 CONECT 12 13 38 CONECT 13 12 74 CONECT 14 11 77 CONECT 15 16 72 CONECT 16 15 73 CONECT 17 18 73 CONECT 18 17 76 CONECT 19 29 72 CONECT 20 31 78 CONECT 21 32 79 CONECT 22 33 80 CONECT 23 34 81 CONECT 24 30 103 CONECT 25 35 104 CONECT 26 75 82 CONECT 27 1 39 105 CONECT 28 9 29 76 CONECT 29 19 28 73 CONECT 30 24 40 83 CONECT 31 20 41 106 CONECT 32 21 56 107 CONECT 33 22 57 108 CONECT 34 23 58 109 CONECT 35 25 42 110 CONECT 36 11 74 75 CONECT 37 10 74 77 CONECT 38 12 75 111 CONECT 39 27 43 84 CONECT 40 30 61 85 CONECT 41 31 44 86 CONECT 42 35 45 87 CONECT 43 39 49 88 CONECT 44 41 50 89 CONECT 45 42 62 90 CONECT 46 51 56 91 CONECT 47 52 57 92 CONECT 48 53 58 93 CONECT 49 43 64 94 CONECT 50 44 65 95 CONECT 51 46 66 96 CONECT 52 47 68 97 CONECT 53 48 67 98 CONECT 54 59 60 99 CONECT 55 59 69 100 CONECT 56 32 46 112 CONECT 57 33 47 113 CONECT 58 34 48 114 CONECT 59 54 55 115 CONECT 60 54 63 116 CONECT 61 40 70 117 CONECT 62 45 71 118 CONECT 63 60 101 102 CONECT 64 49 104 105 CONECT 65 50 106 112 CONECT 66 51 107 113 CONECT 67 53 109 117 CONECT 68 52 108 118 CONECT 69 55 111 116 CONECT 70 61 103 115 CONECT 71 62 110 114 CONECT 72 2 3 15 19 CONECT 73 4 16 17 29 CONECT 74 5 13 36 37 CONECT 75 6 26 36 38 CONECT 76 7 18 28 77 CONECT 77 8 14 37 76 CONECT 78 20 CONECT 79 21 CONECT 80 22 CONECT 81 23 CONECT 82 26 CONECT 83 30 CONECT 84 39 CONECT 85 40 CONECT 86 41 CONECT 87 42 CONECT 88 43 CONECT 89 44 CONECT 90 45 CONECT 91 46 CONECT 92 47 CONECT 93 48 CONECT 94 49 CONECT 95 50 CONECT 96 51 CONECT 97 52 CONECT 98 53 CONECT 99 54 CONECT 100 55 CONECT 101 63 CONECT 102 63 CONECT 103 24 70 CONECT 104 25 64 CONECT 105 27 64 CONECT 106 31 65 CONECT 107 32 66 CONECT 108 33 68 CONECT 109 34 67 CONECT 110 35 71 CONECT 111 38 69 CONECT 112 56 65 CONECT 113 57 66 CONECT 114 58 71 CONECT 115 59 70 CONECT 116 60 69 CONECT 117 61 67 CONECT 118 62 68 MASTER 0 0 0 0 0 0 0 0 118 0 260 0 END SMILES for NP0337747 (Phaseoloside E)CC1OC(OCC2OC(OC3C(O)C(O)C(OC4C(O)C(O)COC4OC4C(O)C(OC5CCC6(C)C(CCC7(C)C6C=CC6C8CC(C)(C)CCC8(C)C=CC76C)C5(C)CO)OC(C4O)C(O)=O)OC3CO)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O INCHI for NP0337747 (Phaseoloside E)InChI=1/C77H124O41/c1-27-39(84)43(88)49(94)64(105-27)104-25-35-42(87)45(90)62(118-68-52(97)47(92)57(33(22-80)108-68)113-66-51(96)46(91)56(32(21-79)107-66)112-65-50(95)44(89)41(86)31(20-78)106-65)71(110-35)114-58-34(23-81)109-67(53(98)48(58)93)117-61-40(85)30(83)24-103-70(61)115-59-54(99)60(63(101)102)116-69(55(59)100)111-38-12-13-74(5)36(75(38,6)26-82)11-14-77(8)37(74)10-9-28-29-19-72(2,3)15-16-73(29,4)17-18-76(28,77)7/h9-10,17-18,27-62,64-71,78-100H,11-16,19-26H2,1-8H3,(H,101,102) 3D Structure for NP0337747 (Phaseoloside E) | |||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C77H124O41 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 1705.7980 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 1704.76180 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | 4-[(3-{[5-({3-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-3,5-dihydroxy-6-{[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,8a,9,10,11,12,12a,12b,14a,14b-octadecahydropicen-3-yl]oxy}oxane-2-carboxylic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | 4-[(3-{[5-({3-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-3,5-dihydroxy-6-{[4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,9,10,12,12a,12b,14a-dodecahydropicen-3-yl]oxy}oxane-2-carboxylic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC1OC(OCC2OC(OC3C(O)C(O)C(OC4C(O)C(O)COC4OC4C(O)C(OC5CCC6(C)C(CCC7(C)C6C=CC6C8CC(C)(C)CCC8(C)C=CC76C)C5(C)CO)OC(C4O)C(O)=O)OC3CO)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O | |||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1/C77H124O41/c1-27-39(84)43(88)49(94)64(105-27)104-25-35-42(87)45(90)62(118-68-52(97)47(92)57(33(22-80)108-68)113-66-51(96)46(91)56(32(21-79)107-66)112-65-50(95)44(89)41(86)31(20-78)106-65)71(110-35)114-58-34(23-81)109-67(53(98)48(58)93)117-61-40(85)30(83)24-103-70(61)115-59-54(99)60(63(101)102)116-69(55(59)100)111-38-12-13-74(5)36(75(38,6)26-82)11-14-77(8)37(74)10-9-28-29-19-72(2,3)15-16-73(29,4)17-18-76(28,77)7/h9-10,17-18,27-62,64-71,78-100H,11-16,19-26H2,1-8H3,(H,101,102) | |||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | PZPHULADDDWLGC-UHFFFAOYNA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
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Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
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Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
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HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
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Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
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Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
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PubChem Compound | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
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ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
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