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CHEBI:197631 - SCH 64879

ChEBI IDCHEBI:197631
ChEBI NameSCH 64879
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SubmitterMetaboLights
DownloadsMolfile
FormulaC51H94O12
Net Charge0
Average Mass899.301
Monoisotopic Mass898.67453
SMILESC/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC/C=C(\C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCC1OC1(C)C
InChIInChI=1S/C51H94O12/c1-37(19-12-21-39(3)24-35-61-45-44(55)43(54)42(53)40(36-52)62-45)18-11-20-38(2)22-13-25-47(6,56)26-14-27-48(7,57)28-15-29-49(8,58)30-16-31-50(9,59)32-17-33-51(10,60)34-23-41-46(4,5)63-41/h19-20,24,40-45,52-60H,11-18,21-23,25-36H2,1-10H3/b37-19+,38-20+,39-24+/t40-,41?,42-,43+,44-,45-,47?,48?,49?,50?,51?/m1/s1
InChIKeyJUOANPYYLHTFGA-DOHFIXSDSA-N
Species of MetaboliteComponentSourceComments
Acremoniumspecies (ncbitaxon:2046025) - PubMed (9510903)
ChEBI Ontology
Outgoing Relation(s)
SCH 64879 (CHEBI:197631) is a polyterpenoid (CHEBI:26207)
IUPAC Name 
(23E,27E,31E)-1-(3,3-dimethyloxiran-2-yl)-3,7,11,15,19,23,27,31-octamethyl-33-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytritriaconta-23,27,31-triene-3,7,11,15,19-pentol
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8008480ChemSpider