NP-MRD: Browsing natural products

NP-MRD ID CAS Number	Compound Name	Species of Origin	Chemical Formula Average Mass Monoisotopic Mass	NMR Spectra
NP0048464 180031-78-1	4-[(2-Furanylmethyl)thio]-2-pentanone	Coffea arabica L. Coffea canephora	C₁₀H₁₄O₂S 198.2820 Da 198.07145 Da	Not Available
NP0048465 38917-63-4	6,7-Dihydro-2,3-dimethyl-5H-cyclopentapyrazine	Coffea arabica L. Coffea canephora Cyperus esulentus Theobroma cacao	C₉H₁₂N₂ 148.2050 Da 148.10005 Da	Not Available
NP0048466 34335-98-3	Furanojaponin	Petasites japonicus	C₂₀H₂₈O₃ 316.4345 Da 316.20384 Da	Not Available
NP0048467 34300-94-2	3-Mercapto-3-methyl-1-butanol	Coffea arabica L. Coffea canephora	C₅H₁₂OS 120.2130 Da 120.06089 Da	Not Available
NP0048468 75991-58-1	4,11,13,15-Tetrahydroridentin B	Coffea arabica L. Coffea canephora Taraxacum erythrospermum Taraxacum officinale	C₁₅H₂₄O₄ 268.3487 Da 268.16746 Da	Not Available
NP0048469 20493-56-5	Curzerenone	Commiphora gileadensis Commiphora myrrha Commiphora opobalsamum Commiphora sphaerocarpa Commiphora wightii Curcuma aeruginosa Curcuma amanda Roxb Curcuma aromatica Curcuma longa Curcuma xanthorrhiza Curcuma zedoaria Prumnopitys andina (show all show less)	C₁₅H₁₈O₂ 230.3022 Da 230.13068 Da	Not Available
NP0048470 50746-10-6	3-Mercapto-3-methylbutyl formate	Coffea arabica L. Coffea canephora	C₆H₁₂O₂S 148.2230 Da 148.05580 Da	Not Available
NP0048471 18409-21-7	(2E,4E)-Decadien-1-ol	Not Available	C₁₀H₁₈O 154.2493 Da 154.13577 Da	Not Available
NP0048472 28976-67-2	(R)-2,5,11-Bisabolatriene	Cannabis sativa Curcuma longa Curcuma picta Curcuma xanthorrhiza Cymbopogon martinii Elsholtzia fruticosa Helichrysum odoratissimum Lantana strigocamara Lepechinia chamaedryoides Melissa officinalis L. Platostoma africanum Santalum spicatum (show all show less)	C₁₅H₂₄ 204.3511 Da 204.18780 Da	Not Available
NP0048473 57130-00-4	(Z)-10,11-Dihydro-alpha-atlantone	Atlas cedar Cedrus deodara Curcuma longa Ginkgo biloba	C₁₅H₂₂O 218.3346 Da 218.16707 Da	Not Available
NP0048474 1117-55-1	Hexyl octanoate	Boswellia sacra Heracleum persicum Mandragora autumnalis Pyrus pyrifolia Salvia atropatana	C₁₄H₂₈O₂ 228.3709 Da 228.20893 Da	Not Available
NP0048475 105-79-3	2-Methylpropyl hexanoate	Bothriochloa bladhii Piper nigrum L. Pyrus pyrifolia	C₁₀H₂₀O₂ 172.2646 Da 172.14633 Da	Not Available
NP0048476 540-07-8	Pentyl hexanoate	Ananas comosus Annona muricata Heracleum dissectum Polygala senega Pyrus pyrifolia	C₁₁H₂₂O₂ 186.2912 Da 186.16198 Da	Not Available
NP0048477 2050-01-3	3-Methylbutyl 2-methylpropanoate	Feijoa sellowiana Musa acuminata	C₉H₁₈O₂ 158.2380 Da 158.13068 Da	Not Available
NP0048478 256642-44-1	b-Chlorogenin 3-[2'',4''-dirhamnosylglucoside]	Allium cepa Allium fistulosum	C₄₅H₇₄O₁₇ 887.0589 Da 886.49260 Da	Not Available
NP0048479 290348-00-4	Trigoneoside XIIb	Trigonella foenum Trigonella foenum-graecum Trigonella foenum-graecum L.	C₄₅H₇₄O₁₈ 903.0583 Da 902.48752 Da	Not Available
NP0048480 20972-07-0	Campesteryl ferulate	Not Available	C₃₈H₅₆O₄ 576.8488 Da 576.41786 Da	Not Available
NP0048481 59252-88-9	Campesterol 6'-hexadecanoylglucoside	Prunus persica	C₅₀H₈₈O₇ 801.2295 Da 800.65301 Da	Not Available
NP0048482 87168-08-9	Campesterol 6'-(9Z-octadecenoyl)-glucoside	Prunus persica	C₅₂H₉₀O₇ 827.2668 Da 826.66866 Da	Not Available
NP0048483 67911-62-0	3-O-p-trans-Coumaroylalphitolic acid	Ziziphus jujuba Ziziphus zizyphus	C₃₉H₅₄O₆ 618.8550 Da 618.39204 Da	Not Available
NP0048484 28789-35-7	Nordihydrocapsaicin	Capsicum annuum Capsicum annuum var. annuum Capsicum pubescens	C₁₇H₂₇NO₃ 293.4012 Da 293.19909 Da	Not Available
NP0048485 58493-48-4	Homocapsaicin	Capsicum annuum Capsicum annuum var. annuum Capsicum pubescens	C₁₉H₂₉NO₃ 319.4385 Da 319.21474 Da	Not Available
NP0048486 20279-06-5	Homodihydrocapsaicin	Capsicum annuum Capsicum annuum var. annuum Phylica pubescens	C₁₉H₃₁NO₃ 321.4543 Da 321.23039 Da	Not Available
NP0048487 184362-09-2	Vitisin A	Vitis amurensis Vitis betulifolia Vitis chunganensis Vitis coignetiae Vitis heyneana Vitis rotundifolia Vitis thunbergii Vitis vinifera Vitis vinifera L. (show all show less)	C₂₆H₂₅O₁₄ 561.4683 Da 561.12443 Da	Not Available
NP0048488 90195-83-8	Methyl 2-propenyl tetrasulfide	Allium cepa Allium chinense Allium fistulosum Mansoa alliacea	C₄H₈S₄ 184.3660 Da 183.95088 Da	Not Available

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