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CHEBI:209701 - Monarubin C

ChEBI IDCHEBI:209701
ChEBI NameMonarubin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O5
Net Charge0
Average Mass362.466
Monoisotopic Mass362.20932
SMILESC/C=C/[C@@H]1CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H](C(O)CCCCC)[C@H]1C2
InChIInChI=1S/C21H30O5/c1-4-6-7-9-17(22)18-16-11-13-10-14(8-5-2)25-12-15(13)19(23)21(16,3)26-20(18)24/h5,8,14,16-18,22H,4,6-7,9-12H2,1-3H3/b8-5+/t14-,16-,17?,18+,21-/m1/s1
InChIKeyDRVNBKNSHCUXCR-FTHLBNGKSA-N
Species of MetaboliteComponentSourceComments
Monascus (ncbitaxon:5097) - PubMed (32028626)
ChEBI Ontology
Outgoing Relation(s)
Monarubin C (CHEBI:209701) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(3S,3aR,6S,9aR)-3-(1-hydroxyhexyl)-9a-methyl-6-[(E)-prop-1-enyl]-3,3a,4,5,6,8-hexahydrouro[3,2-g]isochromene-2,9-dione
Manual XrefsDatabases
81409475ChemSpider