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Previridicatumtoxin

MNXM148472 is deprecated and here replaced by MNXM1368248
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368248 Image of MNXM1368248
referencechebi:219739
formulaC30H33NO10
global charge0
mol weight567.591
InChIKeyAGMPGRYRWNVPEQ-BJTDMJNKSA-N
InChIInChI=1S/C30H33NO10/c1-13(2)6-5-7-14(3)8-9-16-17-10-15(41-4)11-18(32)20(17)24(34)23-21(16)25(35)29(39)12-19(33)22(28(31)38)26(36)30(29,40)27(23)37/h6,8,10-11,25,32,34-36,39-40H,5,7,9,12H2,1-4H3,(H2,31,38)/b14-8+/t25-,29-,30+/m0/s1
SMILESCOC1=CC2=C(C/C=C(\C)CCC=C(C)C)C3=C(C(=O)[C@]4(O)C(O)=C(C(N)=O)C(=O)C[C@]4(O)[C@H]3O)C(O)=C2C(O)=C1
MNX internals
InChI (mnx)InChI=1/C30H33NO10/c1-13(2)6-5-7-14(3)8-9-16-17-10-15(41-4)11-18(32)20(17)24(34)23-21(16)25(35)29(39)12-19(33)22(28(31)38)26(36)30(29,40)27(23)37/h6,8,10-11,25,32,34-36,39-40H,5,7,9,12H2,1-4H3,(H2,31,38)/b14-8+/t25-,29-,30+/m0/s1 Image of MNXM1368248
SMILES (mnx)[CH3:1][C:13]([CH3:2])=[CH:6][CH2:5][CH2:7]/[C:14]([CH3:3])=[CH:8]/[CH2:9][C:16]1=[C:17]2[CH:10]=[C:15]([O:41][CH3:4])[CH:11]=[C:18]([OH:32])[C:20]2=[C:24]([OH:34])[C:23]2=[C:21]1[C@H:25]([OH:35])[C@@:29]1([OH:39])[CH2:12][C:19](=[O:33])[C:22]([C:28](=[NH:31])[OH:38])=[C:26]([OH:36])[C@@:30]1([OH:40])[C:27]2=[O:37]
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:219739
chebi:219739
AGMPGRYRWNVPEQ-BJTDMJNKSA-N 		Previridicatumtoxin
(4aS,5S,12aS)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,4a,5,10,11,12a-hexahydroxy-8-methoxy-3,12-dioxo-4,5-dihydrotetracene-2-carboxamide

seed.compound:cpd34989
seedM:cpd34989
AGMPGRYRWNVPEQ-BJTDMJNKSA-M 		previridicatumtoxin

seedM:M_cpd34989 		secondary/obsolete/fantasy identifier