input word = C00016233

Metabolite InformationStructural formula
Name A 108836
Formula C31H50O6S
Mw 550.33281006
CAS RN 178560-44-6
C_ID C00016233 ,
InChIKey WUTCIYAEVCFZHD-KEZWBAQRNA-N
InChICode InChI=1S/C31H50O6S/c1-18(2)19(3)10-11-20(4)22-13-14-23-21-12-15-26-29(5,6)28(37-38(33,34)35)25(32)17-30(26,7)24(21)16-27(36-9)31(22,23)8/h12,16,18,20,22-23,25-28,32H,3,10-11,13-15,17H2,1-2,4-9H3,(H,33,34,35)/t20-,22-,23+,25-,26+,27+,28+,30-,31-/m1/s1
SMILES [C@@H]1([C@@H](C([C@H]2[C@](C1)(C1=C[C@@H]([C@]3([C@H](C1=CC2)CC[C@@H]3[C@H](C)CCC(=C)C(C)C)C)OC)C)(C)C)OS(=O)(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNectriaceaeFusarium compactum Ref.
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OrganismFusarium compactum
ReferenceBrill,J. Antibiotics,49,(1996),541