CHEBI:4970 - Falaconitine

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ChEBI Name Falaconitine
ChEBI ID CHEBI:4970
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C34H47NO10
Net Charge 0
Average Mass 629.739
Monoisotopic Mass 629.32000
InChI InChI=1S/C34H47NO10/c1-8-35-15-32(16-39-2)22(36)13-24(43-6)34-19-14-33(38)23(42-5)12-18(26(29(34)35)27(44-7)28(32)34)25(19)30(33)45-31(37)17-9-10-20(40-3)21(11-17)41-4/h9-12,19,22-30,36,38H,8,13-16H2,1-7H3/t19-,22-,23+,24+,25-,26+,27+,28-,29?,30-,32+,33+,34+/m1/s1
InChIKey AWCSAXLOUNZFKK-TUCMIPCLSA-N
SMILES CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4C1[C@@]3([C@@H]1C[C@@]3(O)[C@H](OC(=O)c5ccc(OC)c(OC)c5)[C@@H]1C4=C[C@@H]3OC)[C@H](C[C@H]2O)OC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Falaconitine (CHEBI:4970) is a methoxybenzoic acid (CHEBI:25238)
Synonym Source
Falaconitine KEGG COMPOUND
Manual Xrefs Databases
C00001639 KNApSAcK
C08683 KEGG COMPOUND
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Registry Number Type Source
62926-57-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014