CHEBI:198313 - Maltepolide E

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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 E
ChEBI ID CHEBI:198313
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C30H42O7
Net Charge 0
Average Mass 514.659
Monoisotopic Mass 514.29305
InChI InChI=1S/C30H42O7/c1-18-10-8-9-11-27-30(6,37-27)15-14-23(34-7)17-24(31)21(4)25(12-13-26-22(5)35-26)36-29(33)20(3)16-19(2)28(18)32/h8-10,12-16,19,21-27,31H,11,17H2,1-7H3/b9-8+,13-12+,15-14+,18-10+,20-16+/t19-,21+,22+,23+,24+,25+,26+,27+,30+/m0/s1
InChIKey PJNCIZARCBCZSI-NBKFYZDLSA-N
SMILES O=C1O[C@H](/C=C/[C@H]2O[C@@H]2C)[C@@H]([C@H](O)C[C@H](OC)C=C[C@]3(O[C@@H]3CC=CC=C(C([C@H](C=C1C)C)=O)C)C)C
Metabolite of Species Details
Sorangium (NCBI:txid39643) See: PubMed
ChEBI Ontology
Outgoing Maltepolide E (CHEBI:198313) is a macrolide (CHEBI:25106)
IUPAC Name
(1R,2E,4S,6R,7R,8R,11E,13S,15E,17E,20R)-6-hydroxy-4-methoxy-1,7,11,13,15-pentamethyl-8-[(E)-2-[(2R,3R)-3-methyloxiran-2-yl]ethenyl]-9,21-dioxabicyclo[18.1.0]henicosa-2,11,15,17-tetraene-10,14-dione
Manual Xref Database
78440004 ChemSpider
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