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CHEBI:183770 - (2beta,3beta,9epsilon,17epsilon,22R)-2,3,14,20,22-Pentahydroxyergost-7-en-6-one

ChEBI IDCHEBI:183770
ChEBI Name(2beta,3beta,9epsilon,17epsilon,22R)-2,3,14,20,22-Pentahydroxyergost-7-en-6-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O6
Net Charge0
Average Mass478.670
Monoisotopic Mass478.32944
SMILESCC(C)[C@@H](C)C[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
InChIInChI=1S/C28H46O6/c1-15(2)16(3)11-24(32)27(6,33)23-8-10-28(34)18-12-20(29)19-13-21(30)22(31)14-25(19,4)17(18)7-9-26(23,28)5/h12,15-17,19,21-24,30-34H,7-11,13-14H2,1-6H3/t16-,17?,19?,21+,22-,23?,24+,25+,26+,27+,28+/m0/s1
InChIKeyKQBCIGPPRFLKLS-VVHPDZBTSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
(2beta,3beta,9epsilon,17epsilon,22R)-2,3,14,20,22-Pentahydroxyergost-7-en-6-one (CHEBI:183770) is a steroid (CHEBI:35341)
IUPAC Name 
(2S,3R,10R,13R,14S)-17-[(2R,3R,5S)-2,3-dihydroxy-5,6-dimethylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Manual XrefsDatabases
29814873ChemSpider