input word = C00042576

Metabolite InformationStructural formula
Name Hecogenone
Formula C27H40O4
Mw 428.29265977
CAS RN 2137-20-4
C_ID C00042576 ,
InChIKey GQJDMLOYAFRRDZ-OKUDKUENNA-N
InChICode InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-17,19-22,24H,5-14H2,1-4H3/t15-,16+,17+,19+,20+,21+,22+,24+,25+,26-,27-/m1/s1
SMILES C1[C@H]2[C@@H]([C@H]3[C@](C1=O)([C@@H]1[C@H](C3)O[C@]3([C@H]1C)OC[C@@H](CC3)C)C)CC[C@@H]1[C@@]2(CCC(=O)C1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeTribulus terrestris Ref.
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