input word = C00043937

Metabolite InformationStructural formula
Name Suberitenone C
(-)-Suberitenone C
Formula C27H40O4
Mw 428.29265977
CAS RN 676271-85-5
C_ID C00043937 ,
InChIKey AVKROXAXWOMCFG-RYXDMGEJNA-N
InChICode InChI=1S/C27H40O4/c1-16-12-21(30)19(13-20(16)29)18-8-9-23-26(5,14-18)15-22(31-17(2)28)24-25(3,4)10-7-11-27(23,24)6/h8,12,19,21-24,30H,7,9-11,13-15H2,1-6H3/t19-,21-,22-,23+,24+,26-,27-/m1/s1
SMILES C1[C@H]2[C@](CC(=C1)[C@@H]1[C@@H](C=C(C(=O)C1)C)O)(C[C@H]([C@@H]1[C@@]2(CCCC1(C)C)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaSuberitidaeSuberites sp. Ref.
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