input word = C00041700

Metabolite InformationStructural formula
Name Nicandrose D
(+)-Nicandrose D
Formula C30H52O14
Mw 636.33570637
CAS RN 915234-88-7
C_ID C00041700 ,
InChIKey HNLDKIWEAVTCKP-BXXLCDLINA-N
InChICode InChI=1S/C30H52O14/c1-6-7-8-9-10-11-12-13-21(34)40-25-24(41-27(37)17(2)3)22(35)19(14-31)39-29(25)44-30(16-33)26(42-28(38)18(4)5)23(36)20(15-32)43-30/h17-20,22-26,29,31-33,35-36H,6-16H2,1-5H3/t19-,20-,22-,23-,24+,25-,26+,29-,30+/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(C)C)O)CO)CO)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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