input word = C00041701

Metabolite InformationStructural formula
Name Nicandrose E
(+)-Nicandrose E
Formula C31H54O14
Mw 650.35135643
CAS RN 915234-89-8
C_ID C00041701 ,
InChIKey JBOQGWGVWAGTCW-RWXOLKIFNA-N
InChICode InChI=1S/C31H54O14/c1-6-8-9-10-11-12-13-14-22(35)41-26-25(42-28(38)18(3)4)23(36)20(15-32)40-30(26)45-31(17-34)27(24(37)21(16-33)44-31)43-29(39)19(5)7-2/h18-21,23-27,30,32-34,36-37H,6-17H2,1-5H3/t19-,20+,21+,23+,24+,25-,26+,27-,30+,31-/m0/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)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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