CHEBI:197157 - Quinquenoside F1

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 Quinquenoside F1
ChEBI ID CHEBI:197157
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H74O15
Net Charge 0
Average Mass 819.039
Monoisotopic Mass 818.50277
InChI InChI=1S/C42H74O15/c1-37(2)24-10-15-40(6)25(17-21(45)28-20(9-14-41(28,40)7)42(8,53)16-11-26(46)38(3,4)52)39(24,5)13-12-27(37)56-36-34(32(50)30(48)23(19-44)55-36)57-35-33(51)31(49)29(47)22(18-43)54-35/h20-36,43-53H,9-19H2,1-8H3
InChIKey UGMWBGKFEUXCMG-UHFFFAOYSA-N
SMILES OC1C2C(C3(C(C4(C(CC3)C(C(OC5OC(C(O)C(O)C5OC6OC(C(O)C(O)C6O)CO)CO)CC4)(C)C)C)C1)C)(CCC2C(O)(CCC(O)C(O)(C)C)C)C
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 Quinquenoside F1 (CHEBI:197157) is a triterpenoid (CHEBI:36615)
IUPAC Name
2-[4,5-dihydroxy-6-(hydroxymethyl)-2-[[12-hydroxy-4,4,8,10,14-pentamethyl-17-(2,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual Xref Database
HMDB0039398 HMDB
View more database links