input word = C00042360

Metabolite InformationStructural formula
Name Cembranolide B
Formula C20H26O4
Mw 330.18310932
CAS RN 67240-43-1
C_ID C00042360 ,
InChIKey JIXLTZWMNACINB-HVZNDUSUNA-N
InChICode InChI=1S/C20H26O4/c1-12-6-5-7-13(2)10-16-15(14(3)19(22)23-16)11-17(21)20(4)18(24-20)9-8-12/h6,10,15-16,18H,3,5,7-9,11H2,1-2,4H3/b12-6-,13-10+/t15-,16+,18-,20+/m1/s1
SMILES C1/C(=C\CC/C(=C/[C@H]2[C@H](CC(=O)[C@]3([C@@H](C1)O3)C)C(=C)C(=O)O2)/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sinularia gibberosa Ref.
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OrganismSinularia gibberosa
ReferenceLi,J.Nat.Prod.,68,(2005),649