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CHEBI:172633 - (3b,6b,8b,12a)-8,12-Epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol

ChEBI IDCHEBI:172633
ChEBI Name(3b,6b,8b,12a)-8,12-Epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O6
Net Charge0
Average Mass394.508
Monoisotopic Mass394.23554
SMILESC/C=C(\C)C(=O)OC1C2=C(C)C(OC)OC2(OC)CC2CCC(O)C(C)C21C
InChIInChI=1S/C22H34O6/c1-8-12(2)19(24)27-18-17-13(3)20(25-6)28-22(17,26-7)11-15-9-10-16(23)14(4)21(15,18)5/h8,14-16,18,20,23H,9-11H2,1-7H3/b12-8+
InChIKeyMEKWGZJWKCYLQM-XYOKQWHBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
(3b,6b,8b,12a)-8,12-Epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol (CHEBI:172633) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(6-hydroxy-2,9a-dimethoxy-3,4a,5-trimethyl-2,4,5,6,7,8,8a,9-octahydrobenzo[][1]benzouran-4-yl) (E)-2-methylbut-2-enoate
Manual XrefsDatabases
35013421ChemSpider
HMDB0031964HMDB