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CHEBI:175637 - Macrophorin A

ChEBI IDCHEBI:175637
ChEBI NameMacrophorin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O4
Net Charge0
Average Mass360.494
Monoisotopic Mass360.23006
SMILES[H][C@@]12CCC(=C)[C@H](C[C@@]34O[C@]3([H])[C@H](O)C(CO)=CC4=O)[C@@]1(C)CCCC2(C)C
InChIInChI=1S/C22H32O4/c1-13-6-7-16-20(2,3)8-5-9-21(16,4)15(13)11-22-17(24)10-14(12-23)18(25)19(22)26-22/h10,15-16,18-19,23,25H,1,5-9,11-12H2,2-4H3/t15-,16-,18+,19+,21+,22-/m0/s1
InChIKeyOOIYDCZXWGFDDL-VKUFQHAMSA-N
ChEBI Ontology
Outgoing Relation(s)
Macrophorin A (CHEBI:175637) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,5R,6R)-1-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
Manual XrefsDatabases
139728ChemSpider
Registry NumbersSources
CAS:85754-70-7ChemIDplus