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CHEBI:219927 - SF2487

ChEBI IDCHEBI:219927
ChEBI NameSF2487
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SubmitterMetaboLights
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FormulaC42H68O12
Net Charge0
Average Mass764.994
Monoisotopic Mass764.47108
SMILESC=C1OC(O)C(C(O)C(OC)C2C(/C=C(\CO)C3CCC(C)C(/C(C)=C/CC4OC(C)(C5CCC(C(O)CC)O5)CC4C)O3)CC(C)C(O)C2CO)C1=O
InChIInChI=1S/C42H68O12/c1-9-29(45)32-14-15-33(52-32)42(7)18-24(5)30(54-42)12-10-21(2)39-22(3)11-13-31(53-39)27(19-43)17-26-16-23(4)36(46)28(20-44)34(26)40(50-8)38(48)35-37(47)25(6)51-41(35)49/h10,17,22-24,26,28-36,38-41,43-46,48-49H,6,9,11-16,18-20H2,1-5,7-8H3/b21-10+,27-17+
InChIKeyMCNBCMMOFDOVFQ-KPWZZBQESA-N
Species of MetaboliteComponentSourceComments
Actinomadura (ncbitaxon:1988) - PubMed (2324011)
ChEBI Ontology
Outgoing Relation(s)
SF2487 (CHEBI:219927) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
5-hydroxy-4-[1-hydroxy-2-[3-hydroxy-6-[(E)-3-hydroxy-2-[6-[(E)-4-[5-[5-(1-hydroxypropyl)oxolan-2-yl]-3,5-dimethyloxolan-2-yl]but-2-en-2-yl]-5-methyloxan-2-yl]prop-1-enyl]-2-(hydroxymethyl)-4-methylcyclohexyl]-2-methoxyethyl]-2-methylideneoxolan-3-one
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5257465ChemSpider