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Gossypurpurin

PropertiesImage
MNX_IDMNXM126284 Image of MNXM126284
referencechebi:190056
formulaC60H56N2O13
global charge0
mol weight1013.109
InChIKeyUGHAANNLJNAXPH-UHFFFAOYSA-N
InChIInChI=1S/C60H56N2O13/c1-19(2)33-27-13-23(9)37(49(66)41(27)31(17-61)47(64)51(33)68)39-25(11)15-29-35(21(5)6)53(70)55(72)45-43(29)57(39)74-59-46-44-30(36(22(7)8)54(71)56(46)73)16-26(12)40(58(44)75-60(45)62-59)38-24(10)14-28-34(20(3)4)52(69)48(65)32(18-63)42(28)50(38)67/h13-22,61-62,64-71H,1-12H3
SMILESCC1=CC2=C3C(=C1C1=C(C)C=C4C(=C1O)C(C=N)=C(O)C(O)=C4C(C)C)OC1=C4C(=O)C(O)=C(C(C)C)C5=CC(C)=C(C6=C(C)C=C7C(=C6O)C(C=O)=C(O)C(O)=C7C(C)C)C(=C54)OC(=C3C(=O)C(O)=C2C(C)C)N1
MNX internals
InChI (mnx)InChI=1/C60H56N2O13/c1-19(2)33-27-13-23(9)37(49(66)41(27)31(17-61)47(64)51(33)68)39-25(11)15-29-35(21(5)6)53(70)55(72)45-43(29)57(39)74-59-46-44-30(36(22(7)8)54(71)56(46)73)16-26(12)40(58(44)75-60(45)62-59)38-24(10)14-28-34(20(3)4)52(69)48(65)32(18-63)42(28)50(38)67/h13-22,61-62,64-71H,1-12H3/b61-17? Image of MNXM126284
SMILES (mnx)[CH3:1][CH:19]([CH3:2])[C:33]1=[C:27]2[CH:13]=[C:23]([CH3:9])[C:37]([C:39]3=[C:57]4[C:43]5=[C:29]([CH:15]=[C:25]3[CH3:11])[C:35]([CH:21]([CH3:5])[CH3:6])=[C:53]([OH:70])[C:55](=[O:72])[C:45]5=[C:60]3[NH:62][C:59](=[C:46]5[C:44]6=[C:30]([CH:16]=[C:26]([CH3:12])[C:40]([C:38]7=[C:50]([OH:67])[C:42]8=[C:32]([CH:18]=[O:63])[C:48]([OH:65])=[C:52]([OH:69])[C:34]([CH:20]([CH3:3])[CH3:4])=[C:28]8[CH:14]=[C:24]7[CH3:10])=[C:58]6[O:75]3)[C:36]([CH:22]([CH3:7])[CH3:8])=[C:54]([OH:71])[C:56]5=[O:73])[O:74]4)=[C:49]([OH:66])[C:41]2=[C:31]([CH:17]=[NH:61])[C:47]([OH:64])=[C:51]1[OH:68]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:190056
chebi:190056
UGHAANNLJNAXPH-UHFFFAOYSA-N 		Gossypurpurin
7-[4,15-dihydroxy-8,19-dimethyl-3,14-dioxo-5,16-di(propan-2-yl)-20-(1,6,7-trihydroxy-8-methanimidoyl-3-methyl-5-propan-2-ylnaphthalen-2-yl)-11,22-dioxa-23-azahexacyclo[10.10.1.12,6.113,17.010,25.021,24]pentacosa-1,4,6(25),7,9,12,15,17(24),18,20-decaen-9-yl]-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
hmdb:HMDB0040913
UGHAANNLJNAXPH-UHFFFAOYSA-N 		Gossypurpurin
7-[20-(8-carboximidoyl-1,6,7-trihydroxy-5-isopropyl-3-methylnaphthalen-2-yl)-4,15-dihydroxy-5,16-diisopropyl-8,19-dimethyl-3,14-dioxo-11,22-dioxa-23-azahexacyclo[10.10.1.1²,⁶.1¹³,¹⁷.0¹⁰,²⁵.0²¹,²⁴]pentacosa-1,4,6,8,10(25),12,15,17,19,21(24)-decaen-9-yl]-2,3,8-trihydroxy-4-isopropyl-6-methylnaphthalene-1-carbaldehyde
7-{20-[8-carboximidoyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-yl)naphthalen-2-yl]-4,15-dihydroxy-8,19-dimethyl-3,14-dioxo-5,16-bis(propan-2-yl)-11,22-dioxa-23-azahexacyclo[10.10.1.1²,⁶.1¹³,¹⁷.0¹⁰,²⁵.0²¹,²⁴]pentacosa-1,4,6,8,10(25),12,15,17,19,21(24)-decaen-9-yl}-2,3,8-trihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1-carbaldehyde

hmdb:HMDB40913 		secondary/obsolete/fantasy identifier