CHEBI:185958 - Matteuorienate 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 Matteuorienate C
ChEBI ID CHEBI:185958
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H32O13
Net Charge 0
Average Mass 588.562
Monoisotopic Mass 588.18429
InChI InChI=1S/C29H32O13/c1-13-22(34)21-16(30)9-17(15-7-5-4-6-8-15)40-27(21)14(2)26(13)42-28-25(37)24(36)23(35)18(41-28)12-39-20(33)11-29(3,38)10-19(31)32/h4-9,18,23-25,28,34-38H,10-12H2,1-3H3,(H,31,32)/t18?,23-,24+,25?,28+,29?/m1/s1
InChIKey KMYUBNLNPRIIHP-HDWZAORYSA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(C=3OC(=CC(=O)C3C(O)=C2C)C4=CC=CC=C4)C)COC(=O)CC(O)(CC(O)=O)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Matteuorienate C (CHEBI:185958) is a flavonoids (CHEBI:72544)
Matteuorienate C (CHEBI:185958) is a glycoside (CHEBI:24400)
IUPAC Name
3-hydroxy-3-methyl-5-oxo-5-[[(3S,4S,6S)-3,4,5-trihydroxy-6-(5-hydroxy-6,8-dimethyl-4-oxo-2-phenylchromen-7-yl)oxyoxan-2-yl]methoxy]pentanoic acid
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24843220 ChemSpider
LMPK12110145 LIPID MAPS
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