input word = C00049186

Metabolite InformationStructural formula
Name Isomandapamate
(+)-Isomandapamate
Formula C23H30O8
Mw 434.19406794
CAS RN 169738-53-8
C_ID C00049186 ,
InChIKey PTMUIPNQECHBJB-GRBWRLRJNA-N
InChICode InChI=1S/C23H30O8/c1-11(2)13-8-23(30-6)15(20(26)29-5)9-22(31-23)14(13)7-12(19(25)28-4)17-16(24)10-21(3,27)18(17)22/h7,9,13-14,16-18,24,27H,1,8,10H2,2-6H3/t13-,14-,16+,17+,18-,21-,22+,23+/m0/s1
SMILES [C@]123[C@@H](C=C([C@H]4[C@H]1[C@@](C[C@H]4O)(C)O)C(=O)OC)[C@@H](C[C@@](C(=C2)C(=O)OC)(OC)O3)C(=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sinularia maxima Ref.
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OrganismSinularia maxima
ReferenceVenkateswarlu,J.Nat.Prod.,62,(1999),756