Search MNXref
 Feedback

(2S)-7-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

MNXM731597 is deprecated and here replaced by MNXM1371332
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371332 Image of MNXM1371332
referencechebi:107637
formulaC27H32O14
global charge0
mol weight580.539
InChIKeyDFPMSGMNTNDNHN-KTEXIAFXSA-N
InChIInChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27-/m0/s1
SMILESC[C@@H]1O[C@@H](O[C@H]2[C@@H](OC3=CC(O)=C4C(=O)C[C@@H](C5=CC=C(O)C=C5)OC4=C3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27-/m0/s1 Image of MNXM1371332
SMILES (mnx)[CH3:1][C@H:10]1[C@H:20]([OH:32])[C@@H:22]([OH:34])[C@@H:24]([OH:36])[C@H:26]([O:41][C@@H:25]2[C@@H:23]([OH:35])[C@H:21]([OH:33])[C@@H:18]([CH2:9][OH:28])[O:40][C@@H:27]2[O:38][C:13]2=[CH:6][C:14]([OH:30])=[C:19]3[C:15](=[O:31])[CH2:8][C@@H:16]([C:11]4=[CH:3][CH:5]=[C:12]([OH:29])[CH:4]=[CH:2]4)[O:39][C:17]3=[CH:7]2)[O:37]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:107637
chebi:107637
DFPMSGMNTNDNHN-KTEXIAFXSA-N
(2S)-7-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one