input word = C00041699

Metabolite InformationStructural formula
Name Nicandrose C
(+)-Nicandrose C
Formula C33H56O15
Mw 692.36192112
CAS RN 915234-90-1
C_ID C00041699 ,
InChIKey OMKDEMOUHIHOJQ-DMHRJGCSNA-N
InChICode InChI=1S/C33H56O15/c1-7-9-10-11-12-13-14-15-24(37)44-28-27(45-30(40)19(3)4)25(38)22(16-34)43-32(28)48-33(18-42-21(6)36)29(26(39)23(17-35)47-33)46-31(41)20(5)8-2/h19-20,22-23,25-29,32,34-35,38-39H,7-18H2,1-6H3/t20-,22-,23-,25-,26-,27+,28-,29+,32-,33+/m1/s1
SMILES CCCCCCCCCC(=O)O[C@H]1[C@@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)C(C)CC)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis nicandroides var.attenuata Ref.
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