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Armillane

PropertiesImage
MNX_IDMNXM119332 Image of MNXM119332
referencechebi:169249
formulaC23H32O7
global charge0
mol weight420.502
InChIKeyXAJFXYLALLZDAD-UHFFFAOYSA-N
InChIInChI=1S/C23H32O7/c1-11-5-12(17(26)6-16(11)25)20(28)30-18-9-22(4)14-8-21(2,3)7-13(14)19(27)15(10-24)23(18,22)29/h5-6,13-15,18-19,24-27,29H,7-10H2,1-4H3
SMILESCC1=CC(C(=O)OC2CC3(C)C4CC(C)(C)CC4C(O)C(CO)C23O)=C(O)C=C1O
MNX internals
InChI (mnx)InChI=1/C23H32O7/c1-11-5-12(17(26)6-16(11)25)20(28)30-18-9-22(4)14-8-21(2,3)7-13(14)19(27)15(10-24)23(18,22)29/h5-6,13-15,18-19,24-27,29H,7-10H2,1-4H3/t13?,14?,15?,18?,19?,22?,23? Image of MNXM119332
SMILES (mnx)[CH3:1][C:11]1=[CH:5][C:12]([C:20](=[O:28])[O:30][CH:18]2[CH2:9][C:22]3([CH3:4])[CH:14]4[CH2:8][C:21]([CH3:2])([CH3:3])[CH2:7][CH:13]4[CH:19]([OH:27])[CH:15]([CH2:10][OH:24])[C:23]23[OH:29])=[C:17]([OH:26])[CH:6]=[C:16]1[OH:25]
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:169249
chebi:169249
XAJFXYLALLZDAD-UHFFFAOYSA-N 		Armillane
[2a,4-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1,2,3,4,4a,5,7,7a-octahydrocyclobuta[e]inden-2-yl] 2,4-dihydroxy-5-methylbenzoate
hmdb:HMDB0035779
XAJFXYLALLZDAD-UHFFFAOYSA-N 		Armillane
2a,4-Dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-decahydro-1H-cyclobuta[e]inden-2-yl 2,4-dihydroxy-5-methylbenzoic acid
2a,4-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-decahydro-1H-cyclobuta[e]inden-2-yl 2,4-dihydroxy-5-methylbenzoate
2a,4-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-octahydrocyclobuta[e]inden-2-yl 2,4-dihydroxy-5-methylbenzoate
Armillarizin

hmdb:HMDB35779 		secondary/obsolete/fantasy identifier