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hypericin

MNXM18607 is deprecated and here replaced by MNXM1368708
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368708 Image of MNXM1368708
referencechebi:5835
formulaC30H16O8
global charge0
mol weight504.45
InChIKeyBTXNYTINYBABQR-UHFFFAOYSA-N
InChIInChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3
SMILESCC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C4=C3C3=C5C6=C(C(=O)C7=C(O)C=C(O)C4=C75)C(O)=CC(C)=C6C1=C23
MNX internals
InChI (mnx)InChI=1/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3 Image of MNXM1368708
SMILES (mnx)[CH3:1][C:7]1=[CH:3][C:9]([OH:31])=[C:19]2[C:23]3=[C:27]4[C:25]5=[C:17]([C:11]([OH:33])=[CH:5][C:13]([OH:35])=[C:21]5[C:29]2=[O:37])[C:18]2=[C:26]5[C:22](=[C:14]([OH:36])[CH:6]=[C:12]2[OH:34])[C:30](=[O:38])[C:20]2=[C:10]([OH:32])[CH:4]=[C:8]([CH3:2])[C:16](=[C:15]13)[C:24]2=[C:28]54
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:5835
chebi:5835
BTXNYTINYBABQR-UHFFFAOYSA-N 		hypericin
1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-7,14-dione
1:6:8:10:11:13-hexahydroxy-3:4-dimethyl-meso-naphthodianthrene-7:14-dione
Hypericin
Hyperizin
hipericina
hypericine
hypericum red

kegg.compound:C07606
keggC:C07606
lipidmaps:LMPK13040001
lipidmapsM:LMPK13040001
BTXNYTINYBABQR-UHFFFAOYSA-N 		Hypericin

kegg.drug:D12433
keggD:D12433
BTXNYTINYBABQR-UHFFFAOYSA-N 		Hypericin (USAN)
hmdb:HMDB0034271
BTXNYTINYBABQR-UHFFFAOYSA-N 		Hypericin
1,3,4,6,8,13-Hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-7,14-dione, 9ci
1:6:8:10:11:13-Hexahydroxy-3:4-dimethyl-meso-naphthodianthrene-7:14-dione
4,5,7,4',5',7'-Hexahydroxy-2,2'-dimethylnaphthodianthrone
5,7,11,18,22,24-hexahydroxy-13,16-dimethyloctacyclo[13.11.1.1²,¹⁰.0³,⁸.0⁴,²⁵.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-dione
Hipericina
Hypericin & visible light
Hypericin from hypericum perforatum
Hypericine
Hypericum extract
Hypericum red
Hyperizin
Mycoporphyrin
Vimrxyn
hypericin
mono-(123I)iodohypericin

metacyc.compound:CPD-9562
metacycM:CPD-9562
BTXNYTINYBABQR-UHFFFAOYSA-L 		hypericin
cyclo werrol
cyclo-Werol
cyclosan
hypericum red

hmdb:HMDB34271
keggC:M_C07606
keggD:M_D12433 		secondary/obsolete/fantasy identifier