input word = C00039292

Metabolite InformationStructural formula
Name Grandilobatin B
(+)-Grandilobatin B
Formula C20H32O3
Mw 320.23514489
CAS RN 1033611-43-6
C_ID C00039292 ,
InChIKey IRGVGKNVASOSJW-UXNKFEIENA-N
InChICode InChI=1S/C20H32O3/c1-14-7-6-10-20(5)18(23-20)13-16(19(3,4)22)9-8-15(2)12-17(21)11-14/h7,13,15,18,22H,6,8-12H2,1-5H3/b14-7+,16-13+/t15-,18+,20-/m0/s1
SMILES C\1=C(/CC(=O)C[C@H](CC/C(=C\[C@@H]2[C@](CC1)(O2)C)/C(C)(C)O)C)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sinularia grandilobata Ref.
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OrganismSinularia grandilobata
ReferenceAhmed,J.Nat.Prod.,71,(2008),946