CHEBI:197095 - Luteolin 7-sulfate-3'-rutinoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Luteolin 7-sulfate-3'-rutinoside
ChEBI ID CHEBI:197095
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H30O18S
Net Charge 0
Average Mass 674.580
Monoisotopic Mass 674.11529
InChI InChI=1S/C27H30O18S/c1-9-20(31)22(33)24(35)26(41-9)40-8-18-21(32)23(34)25(36)27(44-18)43-16-4-10(2-3-12(16)28)15-7-14(30)19-13(29)5-11(6-17(19)42-15)45-46(37,38)39/h2-7,9,18,20-29,31-36H,8H2,1H3,(H,37,38,39)/t9?,18?,20-,21+,22-,23?,24?,25?,26+,27+/m0/s1
InChIKey XEPFWJSKSWCFRK-YXGHWVSDSA-N
SMILES S(OC=1C=C2OC(C3=CC(O[C@@H]4OC([C@@H](O)C(O)C4O)CO[C@@H]5OC([C@H](O)[C@H](O)C5O)C)=C(O)C=C3)=CC(=O)C2=C(O)C1)(O)(=O)=O
Metabolite of Species Details
Cannabis sativa (NCBI:txid3483) Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study
ChEBI Ontology
Outgoing Luteolin 7-sulfate-3'-rutinoside (CHEBI:197095) is a flavonoids (CHEBI:72544)
Luteolin 7-sulfate-3'-rutinoside (CHEBI:197095) is a glycoside (CHEBI:24400)
IUPAC Name
[5-hydroxy-2-[4-hydroxy-3-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-4-oxochromen-7-yl] hydrogen sulate
Manual Xrefs Databases
24843750 ChemSpider
LMPK12110720 LIPID MAPS
View more database links