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Sesaminone

PropertiesImage
MNX_IDMNXM118592 Image of MNXM118592
referencechebi:204014
formulaC20H18O7
global charge0
mol weight370.357
InChIKeyRZIWMSJDPYUACC-LRDNONRASA-N
InChIInChI=1S/C20H18O7/c21-7-13-14(19(22)11-1-3-15-17(5-11)26-9-24-15)8-23-20(13)12-2-4-16-18(6-12)27-10-25-16/h1-6,13-14,20-21H,7-10H2/t13-,14+,20+/m0/s1
SMILESO=C(C1=CC2=C(C=C1)OCO2)[C@@H]1CO[C@H](C2=CC3=C(C=C2)OCO3)[C@H]1CO
MNX internals
InChI (mnx)InChI=1/C20H18O7/c21-7-13-14(19(22)11-1-3-15-17(5-11)26-9-24-15)8-23-20(13)12-2-4-16-18(6-12)27-10-25-16/h1-6,13-14,20-21H,7-10H2/t13-,14+,20+/m0/s1 Image of MNXM118592
SMILES (mnx)[CH:1]1=[CH:3][C:15]2=[C:17]([CH:5]=[C:11]1[C:19]([C@@H:14]1[CH2:8][O:23][C@H:20]([C:12]3=[CH:6][C:18]4=[C:16]([CH:4]=[CH:2]3)[O:25][CH2:10][O:27]4)[C@H:13]1[CH2:7][OH:21])=[O:22])[O:26][CH2:9][O:24]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:204014
chebi:204014
RZIWMSJDPYUACC-LRDNONRASA-N 		Sesaminone
1,3-benzodioxol-5-yl-[(3S,4R,5S)-5-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)oxolan-3-yl]methanone

CHEBI:175750
chebi:175750
RZIWMSJDPYUACC-UHFFFAOYSA-N 		8'-Episesaminone
1,3-benzodioxol-5-yl-[5-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)oxolan-3-yl]methanone
hmdb:HMDB0031941
RZIWMSJDPYUACC-UHFFFAOYSA-N 		8'-Episesaminone
[2-(2H-1,3-benzodioxol-5-yl)-4-(2H-1,3-benzodioxole-5-carbonyl)oxolan-3-yl]methanol

hmdb:HMDB31941 		secondary/obsolete/fantasy identifier