input word = C00047579

Metabolite InformationStructural formula
Name Sootepin C
(+)-Sootepin C
Formula C31H50O3
Mw 470.37599546
CAS RN 1154518-95-2
C_ID C00047579 ,
InChIKey KURYSRIIUXRKKX-JIQCJJONNA-N
InChICode InChI=1S/C31H50O3/c1-21(2)9-8-10-22(3)24-13-15-29(6)26-12-11-25(23(4)19-32)30(16-14-27(33)34-7)20-31(26,30)18-17-28(24,29)5/h9,22,24-26,32H,4,8,10-20H2,1-3,5-7H3/t22-,24-,25+,26+,28-,29+,30-,31+/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)OC)C(=C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeGardenia sootepensis Ref.
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