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CHEBI:201057 - Polyporoid A

ChEBI IDCHEBI:201057
ChEBI NamePolyporoid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O7
Net Charge0
Average Mass492.653
Monoisotopic Mass492.30870
SMILESCC(C)C(C)[C@H](O)[C@@H]1O[C@H]2C[C@@]3(O)C4=CC(=O)[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@]1(C)O
InChIInChI=1S/C28H44O7/c1-13(2)14(3)22(32)24-27(6,33)23-21(35-24)12-28(34)16-9-18(29)17-10-19(30)20(31)11-25(17,4)15(16)7-8-26(23,28)5/h9,13-15,17,19-24,30-34H,7-8,10-12H2,1-6H3/t14?,15-,17-,19+,20-,21-,22-,23-,24-,25+,26+,27+,28+/m0/s1
InChIKeyWLJSJUHWAWNUMY-TWQLGMOSSA-N
Species of MetaboliteComponentSourceComments
Polyporus umbellatus (ncbitaxon:158314) - PubMed (18439824)
Roles Classification
Biological Role:
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
Polyporoid A (CHEBI:201057) is a ecdysteroid (CHEBI:23897)
IUPAC Name 
(2S,4S,6S,7R,8R,9R,12R,13R,15S,16R,18R)-2,7,15,16-tetrahydroxy-6-[(1S)-1-hydroxy-2,3-dimethylbutyl]-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-1(20)-en-19-one
Manual XrefsDatabases
23316773ChemSpider