input word = C00039420

Metabolite InformationStructural formula
Name Irregularasulfate
Formula C30H51NO5S
Mw 537.34879448
CAS RN 1000999-41-6
C_ID C00039420 ,
InChIKey WCHHCUSNEGNTQI-KJJMMUBBNA-N
InChICode InChI=1S/C30H51NO5S/c1-22(2)15-19-31-20-16-25(28(31)32)10-7-9-24(21-36-37(33,34)35)14-18-30(6)23(3)12-13-26-27(30)11-8-17-29(26,4)5/h11,16,22-24,26H,7-10,12-15,17-21H2,1-6H3,(H,33,34,35)/t23-,24-,26-,30-/m1/s1
SMILES CC(C)CCN1CC=C(CCCC(CC[C@@]2(C)C3=CCCC(C)(C)[C@@H]3CC[C@H]2C)COS(=O)(=O)O)C1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro Cholesterol
Organism
Kingdom Family Species Reference
--Spongia irregularis Ref.
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