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mollicellin B

PropertiesImage
MNX_IDMNXM106735 Image of MNXM106735
referencechebi:68801
formulaC21H18O7
global charge0
mol weight382.368
InChIKeyOMOOHFQAZTVBPK-UHFFFAOYSA-N
InChIInChI=1S/C21H18O7/c1-9-5-12(23)11(8-22)19-16(9)20(25)27-18-10(2)17-13(24)7-21(3,4)28-14(17)6-15(18)26-19/h5-6,8,23H,7H2,1-4H3
SMILESCC1=CC(O)=C(C=O)C2=C1C(=O)OC1=C(C)C3=C(C=C1O2)OC(C)(C)CC3=O
MNX internals
InChI (mnx)InChI=1/C21H18O7/c1-9-5-12(23)11(8-22)19-16(9)20(25)27-18-10(2)17-13(24)7-21(3,4)28-14(17)6-15(18)26-19/h5-6,8,23H,7H2,1-4H3 Image of MNXM106735
SMILES (mnx)[CH3:1][C:9]1=[CH:5][C:12]([OH:23])=[C:11]([CH:8]=[O:22])[C:19]2=[C:16]1[C:20](=[O:25])[O:27][C:18]1=[C:10]([CH3:2])[C:17]3=[C:14]([CH:6]=[C:15]1[O:26]2)[O:28][C:21]([CH3:3])([CH3:4])[CH2:7][C:13]3=[O:24]
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:68801
chebi:68801
OMOOHFQAZTVBPK-UHFFFAOYSA-N 		mollicellin B
10-hydroxy-2,2,5,8-tetramethyl-4,7-dioxo-3,4-dihydro-2H,7H-chromeno[7,6-b][1,4]benzodioxepine-11-carbaldehyde
hmdb:HMDB0033340
OMOOHFQAZTVBPK-UHFFFAOYSA-N 		Mollicellin B
5-hydroxy-7,12,16,16-tetramethyl-9,14-dioxo-2,10,17-trioxatetracyclo[9.8.0.0³,⁸.0¹³,¹⁸]nonadeca-1(11),3(8),4,6,12,18-hexaene-4-carbaldehyde

hmdb:HMDB33340 		secondary/obsolete/fantasy identifier