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viridicatumtoxin

MNXM149216 is deprecated and here replaced by MNXM1368296
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368296 Image of MNXM1368296
referencechebi:85616
formulaC30H31NO10
global charge0
mol weight565.575
InChIKeySUWQGLGDFGHZNH-WBWZXODPSA-N
InChIInChI=1S/C30H31NO10/c1-11-6-5-7-27(2,3)28(11)9-12-16-18(13(32)8-15(41-4)21(16)28)22(34)20-17(12)23(35)29(39)10-14(33)19(26(31)38)24(36)30(29,40)25(20)37/h6,8,23,32-35,39-40H,5,7,9-10H2,1-4H3,(H2,31,38)/t23-,28-,29-,30+/m0/s1
SMILESCOC1=CC(O)=C2C(O)=C3C(=O)[C@]4(O)C(=O)C(C(N)=O)=C(O)C[C@]4(O)[C@@H](O)C3=C3C[C@]4(C(C)=CCCC4(C)C)C1=C32
MNX internals
InChI (mnx)InChI=1/C30H31NO10/c1-11-6-5-7-27(2,3)28(11)9-12-16-18(13(32)8-15(41-4)21(16)28)22(34)20-17(12)23(35)29(39)10-14(33)19(26(31)38)24(36)30(29,40)25(20)37/h6,8,23,32-35,39-40H,5,7,9-10H2,1-4H3,(H2,31,38)/t23-,28-,29-,30+/m0/s1 Image of MNXM1368296
SMILES (mnx)[CH3:1][C:11]1=[CH:6][CH2:5][CH2:7][C:27]([CH3:2])([CH3:3])[C@@:28]12[CH2:9][C:12]1=[C:17]3[C:20](=[C:22]([OH:34])[C:18]4=[C:16]1[C:21]2=[C:15]([O:41][CH3:4])[CH:8]=[C:13]4[OH:32])[C:25](=[O:37])[C@:30]1([OH:40])[C:24](=[O:36])[C:19]([C:26](=[NH:31])[OH:38])=[C:14]([OH:33])[CH2:10][C@:29]1([OH:39])[C@H:23]3[OH:35]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:85616
chebi:85616
SUWQGLGDFGHZNH-WBWZXODPSA-N 		viridicatumtoxin
(1S,7a'S,11a'S,12'S)-5',6',7a',10',11a',12'-hexahydroxy-3'-methoxy-2,6,6-trimethyl-7',8'-dioxo-7',7a',8',11',11a',12'-hexahydro-1'H-spiro[cyclohex-2-ene-1,2'-cyclopenta[de]tetracene]-9'-carboxamide
NSC 159628
SC 28762
viridicatumtoxin A

metacyc.compound:CPD-17868
metacycM:CPD-17868
SUWQGLGDFGHZNH-WBWZXODPSA-M 		viridicatumtoxin