CHEBI:218124 - Pestalpolyol I

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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 Pestalpolyol I
ChEBI ID CHEBI:218124
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H48O5
Net Charge 0
Average Mass 464.687
Monoisotopic Mass 464.35017
InChI InChI=1S/C28H48O5/c1-9-18(2)13-25(17-30)15-24(8)28(33)23(7)14-22(6)27(32)20(4)10-11-26(31)21(5)12-19(3)16-29/h10-12,14-16,18,20-21,23,25-28,30-33H,9,13,17H2,1-8H3/b11-10+,19-12+,22-14+,24-15+/t18-,20-,21-,23-,25-,26+,27-,28-/m1/s1
InChIKey NVPXIJZSAVUDBQ-LFHUWNPQSA-N
SMILES O=C/C(=C/[C@H]([C@@H](O)/C=C/[C@H]([C@@H](O)/C(=C/[C@H]([C@@H](O)/C(=C/[C@H](CO)C[C@@H](CC)C)/C)C)/C)C)C)/C
Metabolite of Species Details
Neopestalotiopsis clavispora (NCBI:txid289240) See: DOI
ChEBI Ontology
Outgoing Pestalpolyol I (CHEBI:218124) is a diterpenoid (CHEBI:23849)
IUPAC Name
(2E,4R,5S,6E,8R,9R,10E,12R,13R,14E,16R,18R)-5,9,13-trihydroxy-16-(hydroxymethyl)-2,4,8,10,12,14,18-heptamethylicosa-2,6,10,14-tetraenal
Manual Xref Database
58196699 ChemSpider
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