input word = C00041697

Metabolite InformationStructural formula
Name Nicandrose A
(+)-Nicandrose A
Formula C36H62O15
Mw 734.40887131
CAS RN 915234-91-2
C_ID C00041697 ,
InChIKey YFQNZOWYPJHOIM-YEUJKRFRNA-N
InChICode InChI=1S/C36H62O15/c1-8-11-12-13-14-15-16-17-26(39)47-30-29(48-32(42)21(4)5)27(40)24(18-37)46-35(30)51-36(20-45-33(43)22(6)9-2)31(28(41)25(19-38)50-36)49-34(44)23(7)10-3/h21-25,27-31,35,37-38,40-41H,8-20H2,1-7H3/t22-,23-,24-,25-,27-,28-,29+,30-,31+,35-,36+/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@@]1(O[C@@H]([C@H]([C@@H]1OC(=O)[C@@H](CC)C)O)CO)COC(=O)[C@H](C)CC)OC(=O)CCCCCCCCC)OC(=O)C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis nicandroides var.attenuata Ref.
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