CHEBI:212751 - Rowithocin 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 Rowithocin A
ChEBI ID CHEBI:212751
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C35H47O7P
Net Charge 0
Average Mass 610.728
Monoisotopic Mass 610.30594
InChI InChI=1S/C35H47O7P/c1-7-8-16-27(2)19-22-32-23-20-28(3)21-24-34(42-43(38,39)40)33(36)25-29(4)17-14-12-10-9-11-13-15-18-30(5)31(6)26-35(37)41-32/h7-17,19-22,24-25,27,30,32-34,36H,1,6,18,23,26H2,2-5H3,(H2,38,39,40)/b11-9?,12-10?,15-13?,16-8-,17-14?,22-19+,24-21?,28-20?,29-25?
InChIKey GSTUNGJXXRUDRB-MBFWLKOUSA-N
SMILES P(=O)(OC1C=CC(=CCC(OC(=O)CC(=C)C(CC=CC=CC=CC=CC(=CC1O)C)C)/C=C/C(/C=C\C=C)C)C)(O)O
Metabolite of Species Details
Sorangium (NCBI:txid39643) See: PubMed
ChEBI Ontology
Outgoing Rowithocin A (CHEBI:212751) is a macrolide (CHEBI:25106)
IUPAC Name
[9-hydroxy-5,11,21-trimethyl-2-[(1E,4Z)-3-methylhepta-1,4,6-trienyl]-22-methylidene-24-oxo-1-oxacyclotetracosa-4,6,10,12,14,16,18-heptaen-8-yl] dihydrogen phosphate