CHEBI:192896 - 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-xylosyl-(1->6)-glucoside

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ChEBI Name 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-xylosyl-(1->6)-glucoside
ChEBI ID CHEBI:192896
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H30O15
Net Charge 0
Average Mass 594.522
Monoisotopic Mass 594.15847
InChI InChI=1S/C27H30O15/c1-37-11-5-16-20(12(7-19(31)40-16)10-2-3-13(28)14(29)4-10)17(6-11)41-27-25(36)23(34)22(33)18(42-27)9-39-26-24(35)21(32)15(30)8-38-26/h2-7,15,18,21-30,32-36H,8-9H2,1H3/t15-,18?,21+,22-,23+,24?,25?,26+,27-/m1/s1
InChIKey GXDJGKMWLJOJFR-OWKULCSLSA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=C(OC(=O)C=C3C4=CC(O)=C(O)C=C4)C=C(OC)C2)CO[C@@H]5OC[C@@H](O)[C@H](O)C5O
Metabolite of Species Details
Cryptomeria (NCBI:txid3368) Found in needle (BTO:0000917). of strain Cryptomeria fortunei Hooibrenk See: MetaboLights Study
ChEBI Ontology
Outgoing 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-xylosyl-(1->6)-glucoside (CHEBI:192896) is a coumarins (CHEBI:23403)
5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-xylosyl-(1->6)-glucoside (CHEBI:192896) is a glycoside (CHEBI:24400)
IUPAC Name
4-(3,4-dihydroxyphenyl)-7-methoxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-one
Manual Xrefs Databases
24843137 ChemSpider
LMPK12100044 LIPID MAPS
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