CHEBI:212755 - (2E,5E,7E,11E,9R,10R,13R,19S)-13,19-dihydroxyl-IT-143-A

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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 (2E,5E,7E,11E,9R,10R,13R,19S)-13,19-dihydroxyl-IT-143-A
ChEBI ID CHEBI:212755
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H45NO6
Net Charge 0
Average Mass 503.680
Monoisotopic Mass 503.32469
InChI InChI=1S/C29H45NO6/c1-17(11-12-24-22(6)26(33)27(35-9)28(30-24)36-10)13-18(2)14-19(3)15-20(4)25(32)21(5)16-29(8,34)23(7)31/h11,14-16,20,23,25,31-32,34H,12-13H2,1-10H3,(H,30,33)/b17-11+,18-14+,19-15+,21-16+/t20-,23+,25-,29-/m1/s1
InChIKey WLTRGKYFEWQYDP-CBWHFUQYSA-N
SMILES O=C1C(OC)=C(OC)NC(=C1C)C/C=C(/C/C(=C/C(=C/[C@H]([C@@H](O)/C(=C/[C@@](O)([C@@H](O)C)C)/C)C)/C)/C)\C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing (2E,5E,7E,11E,9R,10R,13R,19S)-13,19-dihydroxyl-IT-143-A (CHEBI:212755) is a diterpenoid (CHEBI:23849)
IUPAC Name
2,3-dimethoxy-5-methyl-6-[(2E,5E,7E,9R,10R,11E,13R,14S)-10,13,14-trihydroxy-3,5,7,9,11,13-hexamethylpentadeca-2,5,7,11-tetraenyl]-1H-pyridin-4-one
Manual Xref Database
88293803 ChemSpider
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