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10-deacetyl-2-debenzoylbaccatin III

Properties

Image

Occurences in reactions

MNX_ID

MNXM1976

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₂₂H₃₂O₉

charge

mass

440.20463

reference

chebi:32897

InChIKey

LHXBWTCSJBQSGI-QOBCYHTASA-N

InChI

InChI=1S/C22H32O9/c1-9-11(24)7-22(29)18(28)16-20(5,17(27)15(26)14(9)19(22,3)4)12(25)6-13-21(16,8-30-13)31-10(2)23/h11-13,15-16,18,24-26,28-29H,6-8H2,1-5H3/t11-,12-,13+,15+,16-,18-,20+,21-,22+/m0/s1

SMILES

CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](O)[C@@H]12)C3(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:32897 chebi:32897	10-deacetyl-2-debenzoylbaccatin III 10-Deacetyl-2-debenzoylbaccatin III 5beta,20-epoxy-1,2alpha,7beta,10beta,13alpha-pentahydroxy-9-oxotax-11-en-4alpha-yl acetate
kegg.compound:C11899 keggC:C11899	10-Deacetyl-2-debenzoylbaccatin III
seed.compound:cpd08697 seedM:cpd08697	10-Deacetyl-2-debenzoylbaccatin III 10-deacetyl-2-debenzoylbaccatin III
metacyc.compound:10-DEACETYL-2-DEBENZOYLBACCATIN-III metacycM:10-DEACETYL-2-DEBENZOYLBACCATIN-III	10-deacetyl-2-debenzoylbaccatin III
chebi:11299 chebi:29460 keggC:M_C11899 seedM:M_cpd08697	secondary/obsolete/fantasy identifier