CHEBI:220164 - Maltepolide 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 Maltepolide A
ChEBI ID CHEBI:220164
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H42O7
Net Charge 0
Average Mass 514.659
Monoisotopic Mass 514.29305
InChI InChI=1S/C30H42O7/c1-17-10-8-9-11-23(31)18(2)15-28-27(34-7)16-26(36-28)21(5)24(12-13-25-22(6)35-25)37-30(33)20(4)14-19(3)29(17)32/h8-10,12-15,19,21-28,31H,11,16H2,1-7H3/b9-8+,13-12+,17-10+,18-15-,20-14+/t19-,21-,22+,23+,24+,25+,26+,27-,28-/m0/s1
InChIKey JVYYJWVGGWWHNP-JMDBFAQXSA-N
SMILES O=C1O[C@H](/C=C/[C@H]2O[C@@H]2C)[C@@H]([C@@H]3O[C@@H](C=C([C@H](O)CC=CC=C(C([C@H](C=C1C)C)=O)C)C)[C@H](C3)OC)C
Metabolite of Species Details
Sorangium (NCBI:txid39643) See: PubMed
ChEBI Ontology
Outgoing Maltepolide A (CHEBI:220164) is a macrolide (CHEBI:25106)
IUPAC Name
(1R,2R,3R,6E,8S,10E,12E,15R,16Z,18S,19S)-15-hydroxy-19-methoxy-2,6,8,10,16-pentamethyl-3-[(E)-2-[(2R,3R)-3-methyloxiran-2-yl]ethenyl]-4,21-dioxabicyclo[16.2.1]henicosa-6,10,12,16-tetraene-5,9-dione
Manual Xref Database
78440281 ChemSpider
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