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CHEBI:168305 - Notoginsenoside T1

Default Structure
ChEBI IDCHEBI:168305
ChEBI NameNotoginsenoside T1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H60O10
Net Charge0
Average Mass652.866
Monoisotopic Mass652.41865
SMILESC/C(=C\C(O)C1OC1(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C
InChIInChI=1S/C36H60O10/c1-17(13-20(39)30-33(4,5)46-30)18-9-12-35(7)25(18)19(38)14-23-34(6)11-10-24(40)32(2,3)29(34)21(15-36(23,35)8)44-31-28(43)27(42)26(41)22(16-37)45-31/h13,18-31,37-43H,9-12,14-16H2,1-8H3/b17-13+
InChIKeyOUICDHFBMJCDTL-GHRIWEEISA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Notoginsenoside T1 (CHEBI:168305) is a triterpenoid (CHEBI:36615)
IUPAC Name 
2-[[17-[(E)-4-(3,3-dimethyloxiran-2-yl)-4-hydroxybut-2-en-2-yl]-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0039049HMDB