CHEBI:200809 - Subglutinol A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Subglutinol A
ChEBI ID CHEBI:200809
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H38O4
Net Charge 0
Average Mass 426.597
Monoisotopic Mass 426.27701
InChI InChI=1S/C27H38O4/c1-15(2)12-19-14-27(7)22-9-8-16(3)21(26(22,6)11-10-23(27)31-19)13-20-24(28)17(4)18(5)30-25(20)29/h12,19,21-23,28H,3,8-11,13-14H2,1-2,4-7H3/t19-,21-,22-,23+,26-,27+/m1/s1
InChIKey SXNPXUJAUIINIU-JTLRLOPKSA-N
SMILES O=C1OC(=C(C)C(=C1C[C@@H]2C(=C)CC[C@@H]3[C@@]2(CC[C@H]4[C@]3(C[C@@H](C=C(C)C)O4)C)C)O)C
Metabolite of Species Details
Fusarium subglutinans (NCBI:txid42677) See: DOI
ChEBI Ontology
Outgoing Subglutinol A (CHEBI:200809) is a naphthofuran (CHEBI:39270)
IUPAC Name
3-[[(2S,3aS,5aR,6R,9aR,9bS)-5a,9b-dimethyl-7-methylidene-2-(2-methylprop-1-enyl)-2,3a,4,5,6,8,9,9a-octahydro-1H-benzo[e][1]benzouran-6-yl]methyl]-4-hydroxy-5,6-dimethylpyran-2-one
Manual Xref Database
10307231 ChemSpider
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