Search MNXref
 Feedback

violdelphin

MNXM88926 is deprecated and here replaced by MNXM1108535
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1108535 Image of MNXM1108535
referencemetacycM:CPD-16561
formulaC53H58O30
global charge0
mol weight1175.017
InChIKeyYODABPUZPVYDEF-CIBWSIAMSA-N
InChIInChI=1S/C53H58O30/c1-18-34(58)39(63)43(67)50(76-18)75-17-33-38(62)42(66)46(70)53(83-33)80-30-14-25-26(55)12-24(13-29(25)79-47(30)21-10-27(56)35(59)28(57)11-21)78-52-45(69)41(65)37(61)32(82-52)16-74-49(72)20-4-8-23(9-5-20)77-51-44(68)40(64)36(60)31(81-51)15-73-48(71)19-2-6-22(54)7-3-19/h2-14,18,31-34,36-46,50-53,58,60-70H,15-17H2,1H3,(H4-,54,55,56,57,59,71)/t18-,31+,32+,33+,34-,36+,37+,38+,39+,40-,41-,42-,43+,44+,45+,46+,50+,51+,52+,53+/m0/s1
SMILESC[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C([O-])C=C(O[C@@H]5O[C@H](COC(=O)C6=CC=C(O[C@@H]7O[C@H](COC(=O)C8=CC=C(O)C=C8)[C@@H](O)[C@H](O)[C@H]7O)C=C6)[C@@H](O)[C@H](O)[C@H]5O)C=C4[O+]=C3C3=CC(O)=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C53H58O30/c1-18-34(58)39(63)43(67)50(76-18)75-17-33-38(62)42(66)46(70)53(83-33)80-30-14-25-26(55)12-24(13-29(25)79-47(30)21-10-27(56)35(59)28(57)11-21)78-52-45(69)41(65)37(61)32(82-52)16-74-49(72)20-4-8-23(9-5-20)77-51-44(68)40(64)36(60)31(81-51)15-73-48(71)19-2-6-22(54)7-3-19/h2-14,18,31-34,36-46,50-53,58,60-70H,15-17H2,1H3,(H4-,54,55,56,57,59,71)/t18-,31+,32+,33+,34-,36+,37+,38+,39+,40-,41-,42-,43+,44+,45+,46+,50+,51+,52+,53+/m0/s1 Image of MNXM1108535
SMILES (mnx)[CH3:1][C@H:18]1[C@H:34]([OH:58])[C@@H:39]([OH:63])[C@@H:43]([OH:67])[C@H:50]([O:75][CH2:17][C@@H:33]2[C@@H:38]([OH:62])[C@H:42]([OH:66])[C@@H:46]([OH:70])[C@H:53]([O:80][C:30]3=[C:47]([C:21]4=[CH:10][C:27]([OH:56])=[C:35]([OH:59])[C:28]([OH:57])=[CH:11]4)[O:79][C:29]4=[CH:13][C:24](=[O+:78][C@H:52]5[C@H:45]([OH:69])[C@@H:41]([OH:65])[C@H:37]([OH:61])[C@@H:32]([CH2:16][O:74][C:49]([C:20]6=[CH:5][CH:9]=[C:23]([O:77][C@H:51]7[C@H:44]([OH:68])[C@@H:40]([OH:64])[C@H:36]([OH:60])[C@@H:31]([CH2:15][O:73][C:48](=[C:19]8[CH:2]=[CH:6][C:22](=[O:54])[CH:7]=[CH:3]8)[O-:71])[O:81]7)[CH:8]=[CH:4]6)=[O:72])[O:82]5)[CH:12]=[C:26]([OH:55])[C:25]4=[CH:14]3)[O:83]2)[O:76]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-16561
metacycM:CPD-16561
YODABPUZPVYDEF-CIBWSIAMSA-N 		violdelphin
delphinidin 3-O-rutinoside-7-O-(6-O-(4-O-(6-O-(p-hydroxybenzoyl)-glucosyl)-oxybenzoyl)-glucoside)

lipidmaps:LMPK12010307
lipidmapsM:LMPK12010307
YODABPUZPVYDEF-CIBWSIAMSA-O 		Violdelphin
2-(3,4,5-Trihydroxyphenyl)-3-[6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyloxy] 5-hydroxy-7-[6-O-[4-[6-O-(4-hydroxybenzoyl)-beta-D-glucopyranosyloxy]benzoyl]-beta-D-glucopyranosyloxy]-1-benzopyrylium