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benzo[a]pyrene-cis-7,8-dihydrodiol

PropertiesImage
MNX_IDMNXM4477 Image of MNXM4477
referencechebi:81626
formulaC20H14O2
global charge0
mol weight286.33
InChIKeyYDXRLMMGARHIIC-FXAWDEMLSA-N
InChIInChI=1S/C20H14O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10,17,20-22H/t17-,20+/m0/s1
SMILESO[C@@H]1C2=C(C=C[C@@H]1O)C1=CC=C3C=CC=C4C=CC(=C2)C1=C43
MNX internals
InChI (mnx)InChI=1/C20H14O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10,17,20-22H/t17-,20+/m0/s1 Image of MNXM4477
SMILES (mnx)[CH:1]1=[CH:2][C:11]2=[CH:4][CH:5]=[C:13]3[CH:10]=[C:16]4[C:14](=[C:15]5[CH:7]=[CH:6][C:12](=[CH:3]1)[C:18]2=[C:19]35)[CH:8]=[CH:9][C@H:17]([OH:21])[C@@H:20]4[OH:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-5692212
reactomeM:R-ALL-5692212
CHEBI:81626
chebi:81626
YDXRLMMGARHIIC-FXAWDEMLSA-N 		benzo[a]pyrene-cis-7,8-dihydrodiol

envipath:...5382cf2629c3
envipathM:...5382cf2629c3
YDXRLMMGARHIIC-FXAWDEMLSA-N 		Benzo(a)pyrene-cis-7,8-dihydrodiol

vmhM:M01377
vmhmetabolite:M01377
YDXRLMMGARHIIC-UHFFFAOYSA-N 		Benzo[A]Pyrene-7,8-Diol
pentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1,3,7,9(19),10,12(20),13,15,17-nonaene-5,6-diol

kegg.compound:C14852
keggC:C14852
YDXRLMMGARHIIC-UHFFFAOYSA-N 		Benzo[a]pyrene-7,8-dihydrodiol
hmdb:HMDB0060438
YDXRLMMGARHIIC-UHFFFAOYSA-N 		Benzo[a]pyrene-7,8-diol
7,8-Dihydro 7,8-dihydroxybenzo(a)pyrene
7,8-Dihydro-7,8-dihydroxybenzopyrene
7,8-Dihydrobenzo(a)pyrene-7,8-diol
7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene
BP-7,8 Diol
Benzo(a)pyrene 7,8-dihydrodiol
Benzo(a)pyrene 7,8-dihydrodiol, (7R-trans)-isomer
Benzo(a)pyrene 7,8-dihydrodiol, (7S-trans)-isomer
Benzo(a)pyrene 7,8-dihydrodiol, (cis)-isomer
Benzo(a)pyrene 7,8-dihydrodiol, (trans)-(+-)-isomer
Benzo(a)pyrene 7,8-dihydrodiol, (trans)-isomer
Benzo[a]pyrene-7,8-dihydrodiol
Benzopyrene-7,8-dihydrodiol
benzo(a)pyrene 7,8-diol
pentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1,3,7,9(19),10,12(20),13,15,17-nonaene-5,6-diol
trans-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene
trans-Benzopyrene 7,8-dihydrodiol

seed.compound:cpd10549
seedM:cpd10549
sabiork.compound:22098
sabiorkM:22098
CHEBI:34562
chebi:34562
YDXRLMMGARHIIC-UHFFFAOYSA-N 		Benzo[a]pyrene-7,8-diol
Benzo[a]pyrene-7,8-dihydrodiol

seed.compound:cpd19541
seedM:cpd19541
kegg.compound:C18275
keggC:C18275
YDXRLMMGARHIIC-FXAWDEMLSA-N 		Benzo[a]pyrene-cis-7,8-dihydrodiol

hmdb:HMDB60438
keggC:M_C14852
keggC:M_C18275
seedM:M_cpd10549
seedM:M_cpd19541
vmhM:M_M01377 		secondary/obsolete/fantasy identifier