CHEBI:201057 - Polyporoid A

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ChEBI Name Polyporoid A
ChEBI ID CHEBI:201057
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C28H44O7
Net Charge 0
Average Mass 492.653
Monoisotopic Mass 492.30870
InChI InChI=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
InChIKey WLJSJUHWAWNUMY-TWQLGMOSSA-N
SMILES O=C1C=C2[C@@]3(O)[C@@]([C@H]4[C@@](O)([C@H]([C@@H](O)C(C(C)C)C)O[C@H]4C3)C)(CC[C@@H]2[C@@]5([C@H]1C[C@@H](O)[C@H](C5)O)C)C
Metabolite of Species Details
Polyporus umbellatus (NCBI:txid158314) See: PubMed
Roles Classification
Biological Role(s): 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.
(via ecdysteroid )
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ChEBI Ontology
Outgoing 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 Xref Database
23316773 ChemSpider
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