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CHEBI:225975 - Maunakeanolin

ChEBI IDCHEBI:225975
ChEBI NameMaunakeanolin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O8
Net Charge0
Average Mass450.528
Monoisotopic Mass450.22537
SMILESCO[C@@H]1[C@H](OC(=O)/C=C/C=C/C=C/C(=O)O)CC[C@]2(O)CO[C@](C)([C@H](O)CC=C(C)C)[C@@H]12
InChIInChI=1S/C24H34O8/c1-16(2)11-12-18(25)23(3)22-21(30-4)17(13-14-24(22,29)15-31-23)32-20(28)10-8-6-5-7-9-19(26)27/h5-11,17-18,21-22,25,29H,12-15H2,1-4H3,(H,26,27)/b6-5+,9-7+,10-8+/t17-,18-,21-,22-,23-,24+/m1/s1
InChIKeyYYPKEZYHMJBBJN-GJZUJSHHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (32163285)
ChEBI Ontology
Outgoing Relation(s)
Maunakeanolin (CHEBI:225975) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
(2E,4E,6E)-8-[[(3S,3aS,4S,5R,7aR)-7a-hydroxy-3-[(1R)-1-hydroxy-4-methylpent-3-enyl]-4-methoxy-3-methyl-1,3a,4,5,6,7-hexahydro-2-benzouran-5-yl]oxy]-8-oxoocta-2,4,6-trienoic acid