input word = C00048606

Metabolite InformationStructural formula
Name Aplysiol A
(+)-Aplysiol A
Formula C30H53BrO8
Mw 620.29238157
CAS RN 952745-35-6
C_ID C00048606 ,
InChIKey WMQSTAGWZIVTEI-HGPZVMLUNA-N
InChICode InChI=1S/C30H53BrO8/c1-25(2,34)24-18(32)17-30(8,38-24)20(33)12-14-27(5,35)21-9-10-22-28(6,37-21)16-13-23(36-22)29(7)15-11-19(31)26(3,4)39-29/h18-24,32-35H,9-17H2,1-8H3/t18-,19+,20-,21+,22?,23+,24+,27-,28-,29-,30+/m0/s1
SMILES CC(C)(O)[C@@H]1O[C@@](C)([C@@H](O)CC[C@](C)(O)[C@H]2CC[C@H]3O[C@@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@]3(C)O2)C[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Laurencia mariannensis Ref.
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