CHEBI:225265 - Pestalotiphain G

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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 G
ChEBI ID CHEBI:225265
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H26O5
Net Charge 0
Average Mass 310.390
Monoisotopic Mass 310.17802
InChI InChI=1S/C17H26O5/c1-10-5-13(20)7-12(9-18)14-8-16(3,4)17(14,21)15(6-10)22-11(2)19/h5,7,13-15,18,20-21H,6,8-9H2,1-4H3/b10-5+,12-7-/t13-,14+,15-,17+/m0/s1
InChIKey JXNSIQJORMRVGC-IFKHABGQSA-N
SMILES O=C(O[C@@H]1[C@@]2(O)C(C[C@@H]2C(=C[C@H](C=C(C1)C)O)CO)(C)C)C
Metabolite of Species Details
Pestalotiopsis hainanensis (NCBI:txid679339) See: PubMed
ChEBI Ontology
Outgoing Pestalotiphain G (CHEBI:225265) is a tertiary alcohol (CHEBI:26878)
IUPAC Name
[(1S,2S,4E,6S,7E,9R)-1,6-dihydroxy-8-(hydroxymethyl)-4,11,11-trimethyl-2-bicyclo[7.2.0]undeca-4,7-dienyl] acetate