input word = C00057183

Metabolite InformationStructural formula
Name Phaseolus epsilon
Formula C25H34O12
Mw 526.20502655
CAS RN 18894-12-7
C_ID C00057183
InChIKey RWSSUUKUVKNZLZ-AWWNFJCHSA-N
InChICode InChI=1S/C25H34O12/c1-9-5-23-8-24(9,34)4-3-12(23)25-6-10(35-20-16(29)15(28)14(27)11(7-26)36-20)18(30)22(2,21(33)37-25)17(25)13(23)19(31)32/h10-18,20,26-30,34H,1,3-8H2,2H3,(H,31,32)/t10-,11+,12+,13+,14+,15-,16+,17+,18-,20+,22-,23-,24-,25+/m0/s1
SMILES C=C1[C@@](O)(C2)CC[C@]([C@@](C[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@H](O)[C@]45C)(OC5=O)[C@]4([H])[C@@H]6C(O)=O)([H])[C@]26C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePhaseolus coccineus Ref.
PlantaePoaceaeHordeum vulgare Ref.
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