CHEBI:183551 - 24-Nor-9,11-seco-11-acetoxy-3,6-dihydroxycholest-7,22-dien-9-one

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 24-Nor-9,11-seco-11-acetoxy-3,6-dihydroxycholest-7,22-dien-9-one
ChEBI ID CHEBI:183551
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H44O5
Net Charge 0
Average Mass 460.655
Monoisotopic Mass 460.31887
InChI InChI=1S/C28H44O5/c1-17(2)7-8-18(3)22-9-10-23(27(22,5)13-14-33-19(4)29)21-16-25(31)24-15-20(30)11-12-28(24,6)26(21)32/h7-8,16-18,20,22-25,30-31H,9-15H2,1-6H3/b8-7+/t18-,20+,22-,23+,24-,25+,27-,28+/m1/s1
InChIKey HURHMFSVMAENRK-NQZWFRJXSA-N
SMILES O[C@@H]1[C@@]2([C@@](C(=O)C([C@H]3[C@@]([C@](CC3)([C@H](C)/C=C/C(C)C)[H])(CCOC(=O)C)C)=C1)(CC[C@H](O)C2)C)[H]
Metabolite of Species Details
Ganoderma lucidum (NCBI:txid5315) Found in primordium (BTO:0001886). See: MetaboLights Study
Ganoderma lucidum (NCBI:txid5315) Found in fruit body (BTO:0000487). See: MetaboLights Study
ChEBI Ontology
Outgoing 24-Nor-9,11-seco-11-acetoxy-3,6-dihydroxycholest-7,22-dien-9-one (CHEBI:183551) is a monoterpenoid (CHEBI:25409)
IUPAC Name
2-[(1R,2R,5R)-2-[(4S,4aS,6S,8aS)-4,6-dihydroxy-8a-methyl-1-oxo-4,4a,5,6,7,8-hexahydronaphthalen-2-yl]-1-methyl-5-[(E,2R)-5-methylhex-3-en-2-yl]cyclopentyl]ethyl acetate
Manual Xrefs Databases
8542456 ChemSpider
LMST03020680 LIPID MAPS
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