CHEBI:225245 - Pestalotiphain C

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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 Pestalotiphain C
ChEBI ID CHEBI:225245
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H30O5
Net Charge 0
Average Mass 326.433
Monoisotopic Mass 326.20932
InChI InChI=1S/C18H30O5/c1-11-6-14(22-5)8-13(10-19)15-9-17(3,4)18(15,21)16(7-11)23-12(2)20/h6,13-16,19,21H,7-10H2,1-5H3/b11-6+/t13-,14+,15+,16-,18+/m0/s1
InChIKey FBYOODMLZCFCSM-MHHUQZRKSA-N
SMILES O=C(O[C@@H]1[C@@]2(O)C(C[C@@H]2[C@@H](C[C@@H](C=C(C1)C)OC)CO)(C)C)C
Metabolite of Species Details
Pestalotiopsis hainanensis (NCBI:txid679339) See: PubMed
ChEBI Ontology
Outgoing Pestalotiphain C (CHEBI:225245) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
[(1S,2S,4E,6S,8R,9R)-1-hydroxy-8-(hydroxymethyl)-6-methoxy-4,11,11-trimethyl-2-bicyclo[7.2.0]undec-4-enyl] acetate