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CHEBI:197993 - HS-B

Default Structure
ChEBI IDCHEBI:197993
ChEBI NameHS-B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H62O12
Net Charge0
Average Mass734.924
Monoisotopic Mass734.42413
SMILESCC(=O)O[C@@H]1O[C@@H](C(C)(C)O)CCC1[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)C[C@@H](OC(=O)CC(C)(O)CC(=O)O)[C@H](OC(C)=O)C(C)(C)C1CC3
InChIInChI=1S/C40H62O12/c1-21(41)49-33-27(51-32(46)20-37(7,48)19-31(44)45)18-38(8)26-17-29(43)40(10)24(15-16-39(40,9)25(26)12-13-28(38)35(33,3)4)23-11-14-30(36(5,6)47)52-34(23)50-22(2)42/h23-24,27-30,33-34,43,47-48H,11-20H2,1-10H3,(H,44,45)/t23?,24-,27-,28?,29+,30-,33+,34-,37?,38-,39+,40+/m1/s1
InChIKeyKAKZXFRAQROUIJ-YKKYYHABSA-N
Species of MetaboliteComponentSourceComments
Hebeloma senescens (ncbitaxon:246967) - DOI (10.1021/np50121a003)
ChEBI Ontology
Outgoing Relation(s)
HS-B (CHEBI:197993) is a triterpenoid (CHEBI:36615)
IUPAC Name 
5-[[(2R,3R,10S,12S,13R,14S,17R)-3-acetyloxy-17-[(2S,6R)-2-acetyloxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-12-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
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78443725ChemSpider