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CHEBI:224883 - HS-C

Default Structure
ChEBI IDCHEBI:224883
ChEBI NameHS-C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H58O10
Net Charge0
Average Mass674.872
Monoisotopic Mass674.40300
SMILESCC(=O)O[C@H]1[C@H](OC(=O)CC(C)(O)CC(=O)O)C[C@]2(C)C3=C(CCC2C1(C)C)[C@]1(C)CC[C@H](C2CC[C@@H]4O[C@H]2OC4(C)C)[C@@]1(C)[C@@H](O)C3
InChIInChI=1S/C38H58O10/c1-20(39)45-31-25(46-30(43)19-35(6,44)18-29(41)42)17-36(7)24-16-27(40)38(9)22(21-10-13-28-34(4,5)48-32(21)47-28)14-15-37(38,8)23(24)11-12-26(36)33(31,2)3/h21-22,25-28,31-32,40,44H,10-19H2,1-9H3,(H,41,42)/t21?,22-,25-,26?,27+,28+,31+,32+,35?,36-,37+,38+/m1/s1
InChIKeyKLBORFZHMCIDPM-XRFYSVSASA-N
Species of MetaboliteComponentSourceComments
Hebeloma senescens (ncbitaxon:246967) - DOI (10.1021/np50121a003)
ChEBI Ontology
Outgoing Relation(s)
HS-C (CHEBI:224883) is a triterpenoid (CHEBI:36615)
IUPAC Name 
5-[[(2R,3R,10S,12S,13R,14S,17R)-3-acetyloxy-17-[(1S,5S)-7,7-dimethyl-6,8-dioxabicyclo[3.2.1]octan-4-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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