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CHEBI:199147 - Tsugarioside B

Default Structure
ChEBI IDCHEBI:199147
ChEBI NameTsugarioside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H58O8
Net Charge0
Average Mass642.874
Monoisotopic Mass642.41317
SMILESC=C(C)/C(C)=C\C[C@@H](C(=O)OC1OCC(O)C(O)C1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1CC3
InChIInChI=1S/C38H58O8/c1-21(2)22(3)10-11-24(33(43)46-34-32(42)31(41)28(40)20-44-34)25-14-18-38(9)27-12-13-29-35(5,6)30(45-23(4)39)16-17-36(29,7)26(27)15-19-37(25,38)8/h10,24-25,28-32,34,40-42H,1,11-20H2,2-9H3/b22-10-/t24-,25-,28?,29+,30-,31?,32?,34?,36-,37-,38+/m1/s1
InChIKeyRJBCIJBIKBHZMX-YSGIITALSA-N
Species of MetaboliteComponentSourceComments
Ganoderma tsugae (ncbitaxon:34467) - DOI (10.1021/np990367l)
ChEBI Ontology
Outgoing Relation(s)
Tsugarioside B (CHEBI:199147) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3,4,5-trihydroxyoxan-2-yl) (2R,4Z)-2-[(3R,5R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5,6-dimethylhepta-4,6-dienoate
Manual XrefsDatabases
78443780ChemSpider