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CHEBI:201313 - Ananstrep A

ChEBI IDCHEBI:201313
ChEBI NameAnanstrep A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O4
Net Charge0
Average Mass446.672
Monoisotopic Mass446.33961
SMILESCC(CO)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C28H46O4/c1-17(19(3)16-29)6-7-18(2)22-8-9-23-21-14-25(31)28(32)15-20(30)10-13-27(28,5)24(21)11-12-26(22,23)4/h6-7,14,17-20,22-25,29-32H,8-13,15-16H2,1-5H3/b7-6+/t17-,18+,19?,20-,22+,23-,24-,25+,26+,27+,28-/m0/s1
InChIKeyMLGXWUJUDAONDC-RRHWAIJUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (27153073)
ChEBI Ontology
Outgoing Relation(s)
Ananstrep A (CHEBI:201313) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,5R,6R,9S,10R,13R,14R,17R)-17-[(E,2R,5S)-7-hydroxy-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol
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78440858ChemSpider