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CHEBI:80949 - Halistanol sulfate

Default Structure
ChEBI IDCHEBI:80949
ChEBI NameHalistanol sulfate
Stars
DownloadsMolfile
FormulaC29H52O12S3
Net Charge0
Average Mass688.924
Monoisotopic Mass688.26209
SMILES[H][C@@]12C[C@H](OS(=O)(=O)O)[C@@]3([H])C[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CC[C@H](C)C(C)(C)C
InChIInChI=1S/C29H52O12S3/c1-17(8-9-18(2)27(3,4)5)20-10-11-21-19-14-24(39-42(30,31)32)23-15-25(40-43(33,34)35)26(41-44(36,37)38)16-29(23,7)22(19)12-13-28(20,21)6/h17-26H,8-16H2,1-7H3,(H,30,31,32)(H,33,34,35)(H,36,37,38)/t17-,18+,19+,20-,21+,22+,23-,24+,25+,26+,28-,29-/m1/s1
InChIKeyUYXOPBYFUWYADH-APJFPIMXSA-N
ChEBI Ontology
Outgoing Relation(s)
Halistanol sulfate (CHEBI:80949) is a ergostanoid (CHEBI:50403)
Manual XrefsDatabases
C17159KEGG COMPOUND
Registry NumbersSources
CAS:103065-20-9KEGG COMPOUND