input word = C00041860

Metabolite InformationStructural formula
Name Secaubryolide
(+)-Secaubryolide
Formula C31H44O5
Mw 496.31887452
CAS RN 925932-11-2
C_ID C00041860 ,
InChIKey RGFKYIOSMXLVPZ-PPPGUUGNNA-N
InChICode InChI=1S/C31H44O5/c1-18(2)14-21(32)15-19(3)22-8-10-29(6)24-16-23-26(20(4)27(34)36-23)31(11-9-25(33)35-7)17-30(24,31)13-12-28(22,29)5/h14,19,22-24,26H,4,8-13,15-17H2,1-3,5-7H3/t19-,22-,23-,24+,26-,28-,29+,30+,31-/m1/s1
SMILES C1[C@@H]2[C@]3([C@]([C@H]4[C@@H]1OC(=O)C4=C)(CCC(=O)OC)C3)CC[C@]1([C@]2(CC[C@@H]1[C@@H](CC(=O)C=C(C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeGardenia aubryi Ref.
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OrganismGardenia aubryi
ReferenceGrougnet,J.Nat.Prod.,69,(2006),1711