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CHEBI:174988 - Macrophorin C

ChEBI IDCHEBI:174988
ChEBI NameMacrophorin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O5
Net Charge0
Average Mass376.493
Monoisotopic Mass376.22497
SMILES[H][C@@]12CCC(=C)[C@H](C[C@@]34O[C@]3([H])[C@H](O)C(CO)=CC4=O)[C@@]1(C)CC[C@H](O)C2(C)C
InChIInChI=1S/C22H32O5/c1-12-5-6-15-20(2,3)16(24)7-8-21(15,4)14(12)10-22-17(25)9-13(11-23)18(26)19(22)27-22/h9,14-16,18-19,23-24,26H,1,5-8,10-11H2,2-4H3/t14-,15-,16-,18+,19+,21+,22-/m0/s1
InChIKeyZJIGIRXWBMNWPJ-PEPYYZTCSA-N
ChEBI Ontology
Outgoing Relation(s)
Macrophorin C (CHEBI:174988) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,5R,6R)-1-[[(1S,4aR,6S,8aR)-6-hydroxy-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
58828313ChemSpider
Registry NumbersSources
CAS:85764-11-0ChemIDplus