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brasixanthone C

PropertiesImage
MNX_IDMNXM103267 Image of MNXM103267
referencechebi:65520
formulaC23H22O7
global charge0
mol weight410.422
InChIKeyJSZZQWZCXGLNKJ-UHFFFAOYSA-N
InChIInChI=1S/C23H22O7/c1-11(2)17(30-27)10-15-21-13(7-8-23(3,4)29-21)19(25)18-20(26)14-9-12(24)5-6-16(14)28-22(15)18/h5-9,17,24-25,27H,1,10H2,2-4H3
SMILESC=C(C)C(CC1=C2OC(C)(C)C=CC2=C(O)C2=C1OC1=C(C=C(O)C=C1)C2=O)OO
MNX internals
InChI (mnx)InChI=1/C23H22O7/c1-11(2)17(30-27)10-15-21-13(7-8-23(3,4)29-21)19(25)18-20(26)14-9-12(24)5-6-16(14)28-22(15)18/h5-9,17,24-25,27H,1,10H2,2-4H3/t17? Image of MNXM103267
SMILES (mnx)[CH2:1]=[C:11]([CH3:2])[CH:17]([CH2:10][C:15]1=[C:22]2[C:18](=[C:19]([OH:25])[C:13]3=[C:21]1[O:29][C:23]([CH3:3])([CH3:4])[CH:8]=[CH:7]3)[C:20](=[O:26])[C:14]1=[C:16]([CH:6]=[CH:5][C:12]([OH:24])=[CH:9]1)[O:28]2)[O:30][OH:27]
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:65520
chebi:65520
JSZZQWZCXGLNKJ-UHFFFAOYSA-N
brasixanthone C
12-(2-hydroperoxy-3-methylbut-3-en-1-yl)-5,8-dihydroxy-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one