CHEBI:198540 - Atranone E

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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 Atranone E
ChEBI ID CHEBI:198540
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H34O4
Net Charge 0
Average Mass 386.532
Monoisotopic Mass 386.24571
InChI InChI=1S/C24H34O4/c1-13(2)17-12-20(26)24(6)10-9-15(4)22-18(11-14(3)7-8-19(17)24)21(16(5)25)23(27)28-22/h11-13,16,18-19,21,25H,7-10H2,1-6H3/b14-11+,22-15+/t16-,18-,19+,21+,24-/m0/s1
InChIKey CCMBGMOYVQDEBC-VXRPFWOCSA-N
SMILES O=C1C=C(C(C)C)[C@@H]2[C@@]1(CCC(=C3OC(=O)[C@@H]([C@@H]3C=C(CC2)C)[C@@H](O)C)C)C
Metabolite of Species Details
Stachybotrys chartarum (NCBI:txid74722) See: DOI
ChEBI Ontology
Outgoing Atranone E (CHEBI:198540) is a oxolanes (CHEBI:26912)
IUPAC Name
(1S,4E,8S,9S,10E,14R)-8-[(1S)-1-hydroxyethyl]-1,4,11-trimethyl-15-propan-2-yl-6-oxatricyclo[12.3.0.05,9]heptadeca-4,10,15-triene-7,17-dione
Manual Xref Database
78440013 ChemSpider
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