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14-O-acetylbrowniine

Properties

Image

Occurences in reactions

MNX_ID

MNXM33379

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

formula

C₂₇H₄₃NO₈

charge

mass

509.29887

reference

chebi:2414

InChIKey

BQMFTYVYHRJVMQ-VEUWJJFUSA-N

InChI

InChI=1S/C27H43NO8/c1-7-28-12-24(13-32-3)9-8-18(34-5)26-16-10-15-17(33-4)11-25(30,19(16)20(15)36-14(2)29)27(31,23(26)28)22(35-6)21(24)26/h15-23,30-31H,7-13H2,1-6H3/t15-,16-,17+,18+,19-,20+,21-,22+,23?,24+,25-,26+,27-/m1/s1

SMILES

CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:2414 chebi:2414	14-O-acetylbrowniine 14-Acetylbrowniine 20-ethyl-7,8-dihydroxy-1alpha,6beta,16beta-trimethoxy-4-(methoxymethyl)aconitan-14alpha-yl acetate Acetylbrowniine Browniine 14-O-acetate Browniine 14-acetate
seed.compound:cpd05560 seedM:cpd05560 kegg.compound:C08654 keggC:C08654	Acetylbrowniine Browniine 14-acetate
keggC:M_C08654 seedM:M_cpd05560	secondary/obsolete/fantasy identifier