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Paeonin B

PropertiesImage
MNX_IDMNXM107526 Image of MNXM107526
referencechebi:66720
formulaC23H28O11
global charge0
mol weight480.466
InChIKeyYKRGDOXKVOZESV-COKHGNMNSA-N
InChIInChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14+,15+,16-,18+,19+,20+,21+,22-,23+/m1/s1
SMILESC[C@@]12C[C@@]3(O)O[C@H](O1)[C@]1(COC(=O)C4=CC=CC=C4)[C@H]3C[C@@]12O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14+,15+,16-,18+,19+,20+,21+,22-,23+/m1/s1 Image of MNXM107526
SMILES (mnx)[CH3:1][C@:20]12[CH2:9][C@:22]3([OH:29])[C@@H:13]4[CH2:7][C@@:23]1([O:32][C@H:18]1[C@H:16]([OH:27])[C@@H:15]([OH:26])[C@@H:14]([OH:25])[C@@H:12]([CH2:8][OH:24])[O:31]1)[C@:21]4([CH2:10][O:30][C:17]([C:11]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)=[O:28])[C@@H:19]([O:33]2)[O:34]3
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:66720
chebi:66720
YKRGDOXKVOZESV-COKHGNMNSA-N 		Paeonin B