input word = C00046862

Metabolite InformationStructural formula
Name Preclathridine A
(+)-Preclathridine A
Formula C30H50O12S3
Mw 698.24643925
CAS RN 290353-69-4
C_ID C00046862 ,
InChIKey NHVCAAZLXLFSMV-QAOLCFBHNA-N
InChICode InChI=1S/C30H50O12S3/c1-17(2)20(18(3)4)9-8-19(5)22-10-11-23-21-14-26(40-43(31,32)33)25-15-27(41-44(34,35)36)28(42-45(37,38)39)16-30(25,7)24(21)12-13-29(22,23)6/h8-9,18-28H,1,10-16H2,2-7H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)/b9-8-/t19-,20+,21-,22+,23-,24-,25+,26-,27-,28-,29+,30+/m0/s1
SMILES C=C(C)C(/C=C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OS(=O)(=O)O)[C@H]4C[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Leucetta microraphis Ref.
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OrganismLeucetta microraphis
ReferenceWatanabe,J.Nat.Prod.,63,(2000),258