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CHEBI:215559 - Tricholimbrin E

ChEBI IDCHEBI:215559
ChEBI NameTricholimbrin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O4
Net Charge0
Average Mass472.710
Monoisotopic Mass472.35526
SMILESCO[C@@H]1C=C2[C@H]3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](OC=O)C[C@]12O
InChIInChI=1S/C30H48O4/c1-19(2)20(3)8-9-21(4)24-10-11-25-23-16-27(33-7)30(32)17-22(34-18-31)12-15-29(30,6)26(23)13-14-28(24,25)5/h8-9,16,18-22,24-27,32H,10-15,17H2,1-7H3/b9-8+/t20-,21+,22-,24+,25+,26-,27+,28+,29+,30-/m0/s1
InChIKeyNKTDUJMERKLBPA-XYFLKKBVSA-N
Species of MetaboliteComponentSourceComments
Tricholoma imbricatum (ncbitaxon:54538) - PubMed (32534274)
ChEBI Ontology
Outgoing Relation(s)
Tricholimbrin E (CHEBI:215559) is a steroid ester (CHEBI:47880)
IUPAC Name 
[(3S,5R,6R,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-5-hydroxy-6-methoxy-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ormate