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CHEBI:224216 - 16-O-sulfo-18-norisopimar-7-en-4alpha,16-diol

ChEBI IDCHEBI:224216
ChEBI Name16-O-sulfo-18-norisopimar-7-en-4alpha,16-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H32O5S
Net Charge0
Average Mass372.527
Monoisotopic Mass372.19705
SMILESC[C@]1(CCOS(=O)(=O)O)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)O)C1
InChIInChI=1S/C19H32O5S/c1-17(11-12-24-25(21,22)23)10-7-15-14(13-17)5-6-16-18(15,2)8-4-9-19(16,3)20/h5,15-16,20H,4,6-13H2,1-3H3,(H,21,22,23)/t15-,16+,17+,18+,19+/m0/s1
InChIKeyMGAAHPXIGWJLPX-UURKPOQGSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (24890390)
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
16-O-sulfo-18-norisopimar-7-en-4alpha,16-diol (CHEBI:224216) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
2-[(2S,4aS,4bR,8R,8aR)-8-hydroxy-2,4b,8-trimethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthren-2-yl]ethyl hydrogen sulate
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