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arugosin B

PropertiesImage
MNX_IDMNXM102845 Image of MNXM102845
referencechebi:68859
formulaC25H28O6
global charge0
mol weight424.493
InChIKeyWKCOWVOAMWLTDQ-UHFFFAOYSA-N
InChIInChI=1S/C25H28O6/c1-13(2)6-7-16-8-9-17(26)20-22(28)19-18(27)12-15(5)23(30-11-10-14(3)4)21(19)25(29)31-24(16)20/h6,8-10,12,25-27,29H,7,11H2,1-5H3
SMILESCC(C)=CCOC1=C(C)C=C(O)C2=C1C(O)OC1=C(C2=O)C(O)=CC=C1CC=C(C)C
MNX internals
InChI (mnx)InChI=1/C25H28O6/c1-13(2)6-7-16-8-9-17(26)20-22(28)19-18(27)12-15(5)23(30-11-10-14(3)4)21(19)25(29)31-24(16)20/h6,8-10,12,25-27,29H,7,11H2,1-5H3/t25? Image of MNXM102845
SMILES (mnx)[CH3:1][C:13]([CH3:2])=[CH:6][CH2:7][C:16]1=[C:24]2[C:20](=[C:17]([OH:26])[CH:9]=[CH:8]1)[C:22](=[O:28])[C:19]1=[C:18]([OH:27])[CH:12]=[C:15]([CH3:5])[C:23]([O:30][CH2:11][CH:10]=[C:14]([CH3:3])[CH3:4])=[C:21]1[CH:25]([OH:29])[O:31]2
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:68859
chebi:68859
WKCOWVOAMWLTDQ-UHFFFAOYSA-N 		arugosin B
1,6,10-trihydroxy-8-methyl-4-(3-methylbut-2-en-1-yl)-7-[(3-methylbut-2-en-1-yl)oxy]dibenzo[b,e]oxepin-11(6H)-one