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versicolorin B

PropertiesImage
MNX_IDMNXM9227 Image of MNXM9227
referencechebi:77951
formulaC18H11O7
global charge-1
mol weight339.279
InChIKeyBABJNKGTTYCTOO-ULCDLSAGSA-M
InChIInChI=1S/C18H12O7/c19-6-3-8-12(10(20)4-6)16(22)14-9(15(8)21)5-11-13(17(14)23)7-1-2-24-18(7)25-11/h3-5,7,18-20,23H,1-2H2/p-1/t7-,18+/m0/s1
SMILESO=C1C2=CC3=C(C(O)=C2C(=O)C2=C1C=C([O-])C=C2O)[C@@H]1CCO[C@@H]1O3
MNX internals
InChI (mnx)InChI=1/C18H12O7/c19-6-3-8-12(10(20)4-6)16(22)14-9(15(8)21)5-11-13(17(14)23)7-1-2-24-18(7)25-11/h3-5,7,18-20,23H,1-2H2/t7-,18+/m0/s1 Image of MNXM9227
SMILES (mnx)[CH2:1]1[CH2:2][O:24][C@H:18]2[C@@H:7]1[C:13]1=[C:17]([OH:23])[C:14]3=[C:9]([CH:5]=[C:11]1[O:25]2)[C:15](=[O:21])[C:8]1=[C:12]([C:10]([OH:20])=[CH:4][C:6]([OH:19])=[CH:3]1)[C:16]3=[O:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77951
chebi:77951
BABJNKGTTYCTOO-ULCDLSAGSA-M 		versicolorin B
(3aS,12aR)-4,6-dihydroxy-5,10-dioxo-2,3,3a,5,10,12a-hexahydroanthra[2,3-b]furo[3,2-d]furan-8-olate
versicolorin B(1-)

kegg.compound:C20575
keggC:C20575
BABJNKGTTYCTOO-ULCDLSAGSA-N 		Versicolorin B

seed.compound:cpd22594
seedM:cpd22594
BABJNKGTTYCTOO-ULCDLSAGSA-N 		Versicolorin C
Versicolorin B
anthra(2,3-b)furo(3,2-d)furan-5,10-dione, 2,3,3a,12a-tetrahydro-4,6,8-trihydroxy-, (3aR,12aS)-rel-
anthra(2,3-b)furo(3,2-d)furan-5,10-dione, 2,3,3a,12a-tetrahydro-4,6,8-trihydroxy-, (3aS,12aR)-
anthra(2,3-b)furo(3,2-d)furan-5,10-dione, 2,3,3a,12a-tetrahydro-4,6,8-trihydroxy-, (3aS-cis)-
anthra(2,3-b)furo(3,2-d)furan-5,10-dione, 2,3,3a,12a-tetrahydro-4,6,8-trihydroxy-, cis-(+-)-
versicolorin B

CHEBI:72674
chebi:72674
BABJNKGTTYCTOO-ULCDLSAGSA-N 		versicolorin B
(3aS,12aR)-4,6,8-trihydroxy-2,3,3a,12a-tetrahydroanthra[2,3-b]furo[3,2-d]furan-5,10-dione

metacyc.compound:CPD-10175
metacycM:CPD-10175
BABJNKGTTYCTOO-ULCDLSAGSA-M 		versicolorin B
anthra(2,3-b)furo(3,2-d)furan-5,10-dione, 2,3,3a,12a-tetrahydro-4,6,8-trihydroxy-, (3aR,12aS)-rel-
anthra(2,3-b)furo(3,2-d)furan-5,10-dione, 2,3,3a,12a-tetrahydro-4,6,8-trihydroxy-, (3aS,12aR)-
anthra(2,3-b)furo(3,2-d)furan-5,10-dione, 2,3,3a,12a-tetrahydro-4,6,8-trihydroxy-, (3aS-cis)-
anthra(2,3-b)furo(3,2-d)furan-5,10-dione, 2,3,3a,12a-tetrahydro-4,6,8-trihydroxy-, cis-(+-)-
versicolorin C

keggC:M_C20575
seedM:M_cpd22594 		secondary/obsolete/fantasy identifier