CHEBI:198597 - Maltepolide C

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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 C
ChEBI ID CHEBI:198597
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C31H46O8
Net Charge 0
Average Mass 546.701
Monoisotopic Mass 546.31927
InChI InChI=1S/C31H46O8/c1-18-11-9-10-12-24(33)19(2)16-29-28(37-8)17-27(38-29)22(5)25(13-14-26(36-7)23(6)32)39-31(35)21(4)15-20(3)30(18)34/h9-11,13-16,20,22-29,32-33H,12,17H2,1-8H3/b10-9+,14-13+,18-11+,19-16-,21-15+/t20-,22-,23-,24+,25+,26+,27+,28-,29-/m0/s1
InChIKey AZZJDIMGZUGVSD-NYIYWUFPSA-N
SMILES O=C1O[C@H](/C=C/[C@@H](OC)[C@@H](O)C)[C@@H]([C@@H]2O[C@@H](C=C([C@H](O)CC=CC=C(C([C@H](C=C1C)C)=O)C)C)[C@H](C2)OC)C
Metabolite of Species Details
Sorangium (NCBI:txid39643) See: PubMed
ChEBI Ontology
Outgoing Maltepolide C (CHEBI:198597) is a macrolide (CHEBI:25106)
IUPAC Name
(1R,2R,3R,6E,8S,10E,12E,15R,16Z,18S,19S)-15-hydroxy-3-[(E,3R,4S)-4-hydroxy-3-methoxypent-1-enyl]-19-methoxy-2,6,8,10,16-pentamethyl-4,21-dioxabicyclo[16.2.1]henicosa-6,10,12,16-tetraene-5,9-dione
Manual Xref Database
78440015 ChemSpider
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