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violdelphin

MNXM88926 is deprecated and here replaced by MNXM1108535
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM1108535Image of MNXM1108535
#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
formulaC53H58O30
charge0
mass1174.30129
referencemetacycM:CPD-16561
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](Oc3cc4c([O-])cc(O[C@@H]5O[C@H](COC(=O)c6ccc(O[C@@H]7O[C@H](COC(=O)c8ccc(O)cc8)[C@@H](O)[C@H](O)[C@H]7O)cc6)[C@@H](O)[C@H](O)[C@H]5O)cc4[o+]c3-c3cc(O)c(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-16561
metacycM:CPD-16561 		violdelphin
delphinidin 3-O-rutinoside-7-O-(6-O-(4-O-(6-O-(p-hydroxybenzoyl)-glucosyl)-oxybenzoyl)-glucoside)