CHEBI:209004 - Verrucosidinol

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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 Verrucosidinol
ChEBI ID CHEBI:209004
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H34O7
Net Charge 0
Average Mass 434.529
Monoisotopic Mass 434.23045
InChI InChI=1S/C24H34O7/c1-12(11-22(6)21-24(8,31-21)16(5)30-22)10-13(2)18(25)23(7,27)19-14(3)17(28-9)15(4)20(26)29-19/h10-11,16,18,21,25,27H,1-9H3/b12-11+,13-10+/t16-,18+,21+,22+,23?,24-/m1/s1
InChIKey UXTZIHZDUIRZDY-FCOAJAACSA-N
SMILES O=C1OC(=C(C)C(=C1C)OC)C(O)([C@@H](O)/C(=C/C(=C/[C@@]2(O[C@H](C)[C@@]3([C@H]2O3)C)C)/C)/C)C
Metabolite of Species Details
Penicillium aurantiogriseum (NCBI:txid36655) See: PubMed
ChEBI Ontology
Outgoing Verrucosidinol (CHEBI:209004) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name
6-[(3S,4E,6E)-2,3-dihydroxy-4,6-dimethyl-7-[(1S,2S,4R,5R)-2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one
Manual Xref Database
78437931 ChemSpider
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