CHEBI:221060 - 8alpha-monoacetoxyphomadecalin D

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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 8alpha-monoacetoxyphomadecalin D
ChEBI ID CHEBI:221060
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H22O5
Net Charge 0
Average Mass 306.358
Monoisotopic Mass 306.14672
InChI InChI=1S/C17H22O5/c1-9(8-18)17-14(21-11(3)19)7-12-5-6-13(20)10(2)16(12,4)15(17)22-17/h5-7,10,13-15,18,20H,1,8H2,2-4H3/t10-,13+,14-,15+,16+,17-/m0/s1
InChIKey UNYRPNAJDZDQFG-CHXCLDMJSA-N
SMILES O=C(O[C@H]1C=C2C=C[C@@H](O)[C@@H]([C@@]2(C)[C@@H]3[C@]1(O3)C(=C)CO)C)C
Metabolite of Species Details
Microdiplodia (NCBI:txid371130) See: DOI
ChEBI Ontology
Outgoing 8alpha-monoacetoxyphomadecalin D (CHEBI:221060) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
[(1aS,2S,6R,7R,7aR,7bR)-6-hydroxy-1a-(3-hydroxyprop-1-en-2-yl)-7,7a-dimethyl-2,6,7,7b-tetrahydronaphtho[1,2-b]oxiren-2-yl] acetate
Manual Xref Database
78442051 ChemSpider
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