input word = C00030702

Metabolite InformationStructural formula
Name Machaerogenin
Formula C30H46O4
Mw 470.33960996
CAS RN 120794-17-4
C_ID C00030702 ,
InChIKey CHTCCKSXBYVSBJ-IICQFRNHNA-N
InChICode InChI=1S/C30H46O4/c1-25(2)20-9-12-29(6)21(27(20,4)11-10-22(25)32)8-7-18-19-15-26(3,17-31)23-16-30(19,24(33)34-23)14-13-28(18,29)5/h7,19-23,31-32H,8-17H2,1-6H3/t19-,20-,21+,22-,23-,26+,27-,28+,29+,30+/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]3(CC2)C[C@@H]([C@@](C1)(C)CO)OC3=O)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCactaceaeStenocereus eruca Ref.
--Machaerocereus eruca Ref.
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