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CHEBI:220548 - L681512-1

ChEBI IDCHEBI:220548
ChEBI NameL681512-1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H50O8S
Net Charge0
Average Mass594.811
Monoisotopic Mass594.32264
SMILESC=C(CCC(C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H](O)[C@H](OS(=O)(=O)O)C(C)(C)[C@@H]1CC3)C(C)C
InChIInChI=1S/C32H50O8S/c1-17(2)18(3)10-11-19(4)22-13-14-23-21-12-15-25-30(6,7)28(40-41(36,37)38)24(34)16-31(25,8)26(21)27(35)29(32(22,23)9)39-20(5)33/h14,17,19,22,24-25,27-29,34-35H,3,10-13,15-16H2,1-2,4-9H3,(H,36,37,38)/t19?,22-,24-,25+,27-,28+,29+,31+,32-/m1/s1
InChIKeyBGABDSBXSCYPTK-ZNHUQSSZSA-N
Species of MetaboliteComponentSourceComments
Fusarium (ncbitaxon:5506) - PubMed (10656577)
ChEBI Ontology
Outgoing Relation(s)
L681512-1 (CHEBI:220548) is a ergostanoid (CHEBI:50403)
IUPAC Name 
[(2R,3R,5R,10S,11R,12R,13R,17R)-2,11-dihydroxy-4,4,10,13-tetramethyl-17-(6-methyl-5-methylideneheptan-2-yl)-3-sulooxy-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-12-yl] acetate
Manual XrefsDatabases
8092248ChemSpider