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10-deacetylbaccatin III

Properties

Image

Occurences in reactions

MNX_ID

MNXM1702

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₉H₃₆O₁₀

charge

mass

544.23085

reference

chebi:18193

InChIKey

YWLXLRUDGLRYDR-ZHPRIASZSA-N

InChI

InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18-,19+,21+,22-,24-,27+,28-,29+/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](OC(=O)c4ccccc4)[C@@H]12)C3(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:18193 chebi:18193	10-deacetylbaccatin III 10-Deacetylbaccatin III 5beta,20-epoxy-1,7beta,10beta,13alpha-tetrahydroxy-9-oxotax-11-ene-2alpha,4alpha-diyl 4-acetate 2-benzoate
kegg.compound:C11700 keggC:C11700	10-Deacetylbaccatin III
seed.compound:cpd08510 seedM:cpd08510	10-Deacetylbaccatin III 10-deacetylbaccatin III
metacyc.compound:10-DEACETYLBACCATIN-III metacycM:10-DEACETYLBACCATIN-III	10-deacetylbaccatin III
chebi:11300 chebi:693 keggC:M_C11700 seedM:M_cpd08510	secondary/obsolete/fantasy identifier