input word = C00056089

Metabolite InformationStructural formula
Name Proscillaridin A
Formula C30H42O8
Mw 530.28796832
CAS RN 466-06-8
C_ID C00056089
InChIKey MYEJFUXQJGHEQK-ALRJYLEOSA-N
InChICode InChI=1S/C30H42O8/c1-16-24(32)25(33)26(34)27(37-16)38-19-8-11-28(2)18(14-19)5-6-22-21(28)9-12-29(3)20(10-13-30(22,29)35)17-4-7-23(31)36-15-17/h4,7,14-16,19-22,24-27,32-35H,5-6,8-13H2,1-3H3/t16-,19-,20+,21-,22+,24-,25+,26+,27-,28-,29+,30-/m0/s1
SMILES O[C@H]1[C@@H](O)[C@H](O[C@@H]2C=C(CC[C@]3([H])[C@]4([H])CC[C@@]5(C)[C@]3(O)CC[C@]5([H])C6=COC(C=C6)=O)[C@]4(C)CC2)O[C@@H](C)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeScilla bifolia Ref.
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