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aklavinone

MNXM819649 is deprecated and replaced by MNXM6156

Properties

Image

Occurences in reactions

MNX_ID

MNXM6156

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

formula

C₂₂H₂₀O₈

charge

mass

412.11582

reference

chebi:31181

InChIKey

RACGRCLGVYXIAO-YOKWENHESA-N

InChI

InChI=1S/C22H20O8/c1-3-22(29)8-13(24)15-10(17(22)21(28)30-2)7-11-16(20(15)27)19(26)14-9(18(11)25)5-4-6-12(14)23/h4-7,13,17,23-24,27,29H,3,8H2,1-2H3/t13-,17-,22+/m0/s1

SMILES

CC[C@@]1(O)C[C@H](O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:31181 chebi:31181	aklavinone Aclavinone Aklavinon Aklavinone methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
sabiork.compound:14456 sabiorkM:14456 kegg.compound:C12424 keggC:C12424	Aklavinone
seed.compound:cpd09176 seedM:cpd09176	Aklavinone aklavinone methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
metacyc.compound:CPD-15720 metacycM:CPD-15720	aklavinone methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
keggC:M_C12424 seedM:M_cpd09176	secondary/obsolete/fantasy identifier