input word = C00047581

Metabolite InformationStructural formula
Name Sootepin E
(+)-Sootepin E
Formula C30H48O2
Mw 440.36543078
CAS RN 925932-12-3
C_ID C00047581 ,
InChIKey KNVUFXYCGYEIRS-BFKWDMOGNA-N
InChICode InChI=1S/C30H48O2/c1-20(2)9-8-10-22(5)24-13-15-28(7)25-12-11-23(21(3)4)29(16-14-26(31)32)19-30(25,29)18-17-27(24,28)6/h9,22-25H,3,8,10-19H2,1-2,4-7H3,(H,31,32)/t22-,23+,24-,25+,27-,28+,29-,30+/m1/s1
SMILES C1[C@]23[C@H]([C@]4([C@](C1)([C@H](CC4)[C@H](C)CCC=C(C)C)C)C)CC[C@H]([C@]2(C3)CCC(=O)O)C(=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeGardenia sootepensis Ref.
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