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 CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](OS(=O)(=O)O)[C@H](C)CCC/C(C)=C/Cc1cc(O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Coscinoderma matthewsi Ref.
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