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leufolin A

PropertiesImage
MNX_IDMNXM106146 Image of MNXM106146
referencechebi:66575
formulaC30H28O12
global charge0
mol weight580.542
InChIKeyLBJRQQUCMONTPV-AVNPKAOGSA-N
InChIInChI=1S/C30H28O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-8-4-16(5-9-19)22-13-21(34)26-20(33)11-18(32)12-23(26)41-22/h1-12,22,24,27-33,36-38H,13-14H2/b10-3+/t22-,24+,27+,28-,29+,30+/m0/s1
SMILESO=C(/C=C/C1=CC=C(O)C=C1)OC[C@H]1O[C@@H](OC2=CC=C([C@@H]3CC(=O)C4=C(C=C(O)C=C4O)O3)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C30H28O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-8-4-16(5-9-19)22-13-21(34)26-20(33)11-18(32)12-23(26)41-22/h1-12,22,24,27-33,36-38H,13-14H2/b10-3+/t22-,24+,27+,28-,29+,30+/m0/s1 Image of MNXM106146
SMILES (mnx)[CH:1]1=[CH:6][C:17]([OH:31])=[CH:7][CH:2]=[C:15]1/[CH:3]=[CH:10]/[C:25](=[O:35])[O:39][CH2:14][C@@H:24]1[C@@H:27]([OH:36])[C@H:28]([OH:37])[C@@H:29]([OH:38])[C@H:30]([O:40][C:19]2=[CH:9][CH:5]=[C:16]([C@@H:22]3[CH2:13][C:21](=[O:34])[C:26]4=[C:20]([OH:33])[CH:11]=[C:18]([OH:32])[CH:12]=[C:23]4[O:41]3)[CH:4]=[CH:8]2)[O:42]1
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:66575
chebi:66575
LBJRQQUCMONTPV-AVNPKAOGSA-N 		leufolin A
4-[(2S)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside
{6-[4-(5,7-dihydroxy-4-oxo-3,4-dihydro-H-chromen-2-yl)phenoxy]-3,4,5-trihydroxytetrahydro-2H-pyran- 2-yl}methyl-(E)-3-(4-hydroxyphenyl)-2-propenoate