input word = C00044610

Metabolite InformationStructural formula
Name Callysponginol sulfate A
Formula C24H42O6S
Mw 458.2702098
CAS RN 524735-44-2
C_ID C00044610 ,
InChIKey YDLFOQAKBQDMDP-QARZXALLNA-N
InChICode InChI=1S/C24H42O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24(25)26)30-31(27,28)29/h7-8,23H,2-6,9-20H2,1H3,(H,25,26)(H,27,28,29)/b8-7-/t23-/m1/s1
SMILES CCCCCC/C=CCCCCCCCCCCCCC#C[C@@H](OS(=O)(=O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Callyspongia truncata Ref.
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