CHEBI:80723 - Meliantriol

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ChEBI Name Meliantriol
ChEBI ID CHEBI:80723
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H50O5
Net Charge 0
Average Mass 490.71500
Monoisotopic Mass 490.36582
InChI InChI=1S/C30H50O5/c1-26(2)21-9-8-20-19(28(21,5)13-12-22(26)31)11-15-29(6)18(10-14-30(20,29)7)17-16-23(32)35-24(17)25(33)27(3,4)34/h8,17-19,21-25,31-34H,9-16H2,1-7H3/t17-,18+,19+,21+,22+,23-,24-,25+,28-,29+,30-/m1/s1
InChIKey NHYIETFMKIFXQL-VPEHNIDMSA-N
SMILES CC(C)(O)[C@@H](O)[C@@H]1O[C@@H](O)C[C@@H]1C1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Meliantriol (CHEBI:80723) is a bile acid (CHEBI:3098)
Manual Xref Database
C16783 KEGG COMPOUND
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Registry Number Type Source
25278-95-9 CAS Registry Number KEGG COMPOUND