input word = C00038856

Metabolite InformationStructural formula
Name Coscinosulfate
Formula C31H48O6S
Mw 548.31715999
CAS RN 381226-93-3
C_ID C00038856 ,
InChIKey VCFONRYZIFVUGC-MSBMTCHKNA-N
InChICode InChI=1S/C31H48O6S/c1-21(11-13-24-19-25(32)14-15-27(24)33)9-7-10-23(3)28(37-38(34,35)36)20-26-22(2)12-16-29-30(4,5)17-8-18-31(26,29)6/h11-12,14-15,19,23,26,28-29,32-33H,7-10,13,16-18,20H2,1-6H3,(H,34,35,36)/b21-11+/t23-,26+,28-,29+,31+/m1/s1
SMILES C1CC([C@H]2[C@@](C1)([C@H](C(=CC2)C)C[C@H]([C@H](C)CCC/C(=C/Cc1c(ccc(c1)O)O)/C)OS(=O)(=O)O)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Coscinoderma matthewsi Ref.
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OrganismCoscinoderma matthewsi
ReferenceNakao,J.Nat.Prod.,70,(2007),689