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aklavinone

PropertiesImage
MNX_IDMNXM6156 Image of MNXM6156
referencechebi:31181
formulaC22H20O8
global charge0
mol weight412.394
InChIKeyRACGRCLGVYXIAO-YOKWENHESA-N
InChIInChI=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
SMILESCC[C@@]1(O)C[C@H](O)C2=C(C=C3C(=O)C4=C(C(=O)C3=C2O)C(O)=CC=C4)[C@H]1C(=O)OC
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM6156
SMILES (mnx)[CH3:1][CH2:3][C@@:22]1([OH:29])[CH2:8][C@H:13]([OH:24])[C:15]2=[C:10]([CH:7]=[C:11]3[C:16](=[C:20]2[OH:27])[C:19](=[O:26])[C:14]2=[C:9]([CH:5]=[CH:4][CH:6]=[C:12]2[OH:23])[C:18]3=[O:25])[C@H:17]1[C:21](=[O:28])[O:30][CH3:2]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:31181
chebi:31181
RACGRCLGVYXIAO-YOKWENHESA-N 		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
RACGRCLGVYXIAO-YOKWENHESA-N 		Aklavinone

seed.compound:cpd09176
seedM:cpd09176
RACGRCLGVYXIAO-YOKWENHESA-N 		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
RACGRCLGVYXIAO-YOKWENHESA-N 		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