CHEBI:192852 - Isovitexin 4'-O-glucoside 2''-O-arabinoside

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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 Isovitexin 4'-O-glucoside 2''-O-arabinoside
ChEBI ID CHEBI:192852
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H38O19
Net Charge 0
Average Mass 726.637
Monoisotopic Mass 726.20073
InChI InChI=1S/C32H38O19/c33-7-17-23(40)26(43)30(51-31-27(44)21(38)14(37)9-46-31)29(49-17)20-13(36)6-16-19(24(20)41)12(35)5-15(48-16)10-1-3-11(4-2-10)47-32-28(45)25(42)22(39)18(8-34)50-32/h1-6,14,17-18,21-23,25-34,36-45H,7-9H2/t14-,17?,18?,21-,22+,23+,25?,26-,27?,28?,29-,30?,31-,32+/m0/s1
InChIKey GYIKGLVKALOGDP-MMUPBISGSA-N
SMILES O1[C@](C(O[C@@H]2OC[C@H](O)[C@H](O)C2O)[C@@H](O)[C@H](O)C1CO)(C3=C(O)C4=C(OC(=CC4=O)C5=CC=C(O[C@@H]6OC([C@@H](O)C(O)C6O)CO)C=C5)C=C3O)[H]
Metabolite of Species Details
Cryptomeria (NCBI:txid3368) Found in needle (BTO:0000917). of strain Cryptomeria fortunei Hooibrenk See: MetaboLights Study
ChEBI Ontology
Outgoing Isovitexin 4'-O-glucoside 2''-O-arabinoside (CHEBI:192852) is a flavonoids (CHEBI:72544)
Isovitexin 4'-O-glucoside 2''-O-arabinoside (CHEBI:192852) is a glycoside (CHEBI:24400)
IUPAC Name
6-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-[4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Manual Xrefs Databases
24843375 ChemSpider
LMPK12110321 LIPID MAPS
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