Tricholimbrin B (CHEBI:215540)

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CHEBI:215540 - Tricholimbrin B

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ChEBI ID	CHEBI:215540
ChEBI Name	Tricholimbrin B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H44O5
Net Charge	0
Average Mass	496.688
Monoisotopic Mass	496.31887
SMILES	CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)C(=C3CC[C@H]2C1(C)C)C[C@@H]1OC(=O)[C@H](CC(=O)C=C(C)C)[C@@H]14
InChI	InChI=1S/C31H44O5/c1-17(2)14-19(33)15-21-27-24(36-28(21)34)16-23-20-8-9-25-29(4,5)26(35-18(3)32)11-13-30(25,6)22(20)10-12-31(23,27)7/h14,21-22,24-27H,8-13,15-16H2,1-7H3/t21-,22+,24+,25+,26-,27+,30-,31+/m1/s1
InChIKey	OSKLJSAPBZXSEI-HEADDFQYSA-N

Species of Metabolite	Component	Source	Comments
Tricholoma imbricatum (ncbitaxon:54538)	-	PubMed (32534274)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Tricholimbrin B (CHEBI:215540) is a bile acid (CHEBI:3098)

IUPAC Name
[(4S,7R,8R,9R,12R,13R,16R,18R)-9,13,17,17-tetramethyl-7-(4-methyl-2-oxopent-3-enyl)-6-oxo-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-1-en-16-yl] acetate