input word = C00042011

Metabolite InformationStructural formula
Name (5alpha,25R)-Spirostan-3,6,12-trione
Formula C27H38O5
Mw 442.27192432
CAS RN 214681-60-4
C_ID C00042011 ,
InChIKey YHZNLGZQCYHIDM-MVDUSGPONA-N
InChICode InChI=1S/C27H38O5/c1-14-5-8-27(31-13-14)15(2)24-22(32-27)11-19-17-10-21(29)20-9-16(28)6-7-25(20,3)18(17)12-23(30)26(19,24)4/h14-15,17-20,22,24H,5-13H2,1-4H3/t14-,15+,17-,18+,19+,20-,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(=O)[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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OrganismTribulus terrestris
ReferenceXu,Phytochem.,49,(1998),199