CHEBI:197603 - Macrosphelide D

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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 Macrosphelide D
ChEBI ID CHEBI:197603
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H22O8
Net Charge 0
Average Mass 342.344
Monoisotopic Mass 342.13147
InChI InChI=1S/C16H22O8/c1-9-8-16(21)24-11(3)13(18)5-7-15(20)23-10(2)12(17)4-6-14(19)22-9/h4-7,9-13,17-18H,8H2,1-3H3/b6-4+,7-5+/t9-,10-,11?,12+,13?/m0/s1
InChIKey MJMMUATWVTYSFD-SRWBLINQSA-N
SMILES O=C1O[C@H]([C@H](O)C=CC(=O)O[C@@H](C)CC(OC(C(C=C1)O)C)=O)C
ChEBI Ontology
Outgoing Macrosphelide D (CHEBI:197603) is a macrolide (CHEBI:25106)
IUPAC Name
(4S,7E,9R,10S,13E)-9,15-dihydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadeca-7,13-diene-2,6,12-trione
Manual Xref Database
78436238 ChemSpider
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