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

ChEBI IDCHEBI:212755
ChEBI Name(2E,5E,7E,11E,9R,10R,13R,19S)-13,19-dihydroxyl-IT-143-A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H45NO6
Net Charge0
Average Mass503.680
Monoisotopic Mass503.32469
SMILESCOc1nc(C/C=C(\C)C/C(C)=C/C(C)=C/[C@@H](C)[C@@H](O)/C(C)=C/[C@@](C)(O)[C@H](C)O)c(C)c(=O)c1OC
InChIInChI=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
InChIKeyWLTRGKYFEWQYDP-CBWHFUQYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31298537)
ChEBI Ontology
Outgoing Relation(s)
(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
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88293803ChemSpider