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Tulipanin

MNXM148202 is deprecated and here replaced by MNXM1364290
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1364290 Image of MNXM1364290
referencechebi:80441
formulaC27H31O16
global charge1
mol weight611.529
InChIKeyPLKUTZNSKRWCCA-LTSKFBHWSA-O
InChIInChI=1S/C27H30O16/c1-8-18(32)21(35)23(37)26(40-8)39-7-17-20(34)22(36)24(38)27(43-17)42-16-6-11-12(29)4-10(28)5-15(11)41-25(16)9-2-13(30)19(33)14(31)3-9/h2-6,8,17-18,20-24,26-27,32,34-38H,7H2,1H3,(H4-,28,29,30,31,33)/p+1/t8-,17+,18-,20+,21+,22-,23+,24+,26+,27+/m0/s1
SMILESC[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)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/C27H30O16/c1-8-18(32)21(35)23(37)26(40-8)39-7-17-20(34)22(36)24(38)27(43-17)42-16-6-11-12(29)4-10(28)5-15(11)41-25(16)9-2-13(30)19(33)14(31)3-9/h2-6,8,17-18,20-24,26-27,32,34-38H,7H2,1H3,(H4-,28,29,30,31,33)/t8-,17+,18-,20+,21+,22-,23+,24+,26+,27+/m0/s1 Image of MNXM1364290
SMILES (mnx)[CH3:1][C@H:8]1[C@H:18]([OH:32])[C@@H:21]([OH:35])[C@@H:23]([OH:37])[C@H:26]([O:39][CH2:7][C@@H:17]2[C@@H:20]([OH:34])[C@H:22]([OH:36])[C@@H:24]([OH:38])[C@H:27]([O:42][C:16]3=[CH:6][C:11]4=[C:12]([OH:29])[CH:4]=[C:10]([OH:28])[CH:5]=[C:15]4[O+:41]=[C:25]3[C:9]3=[CH:2][C:13]([OH:30])=[C:19]([O-:33])[C:14]([OH:31])=[CH:3]3)[O:43]2)[O:40]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:80441
chebi:80441
PLKUTZNSKRWCCA-LTSKFBHWSA-O 		Tulipanin
Delphinidin 3-O-rutinoside

kegg.compound:C16315
keggC:C16315
PLKUTZNSKRWCCA-LTSKFBHWSA-O 		Delphinidin 3-O-rutinoside
Tulipanin
hmdb:HMDB0038001
PLKUTZNSKRWCCA-LTSKFBHWSA-O 		Delphinidin 3-rutinoside
5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium
Delphinidin 3-O-rutinoside
Delphinidin 3-rhamnosyl-glucoside

lipidmaps:LMPK12010282
lipidmapsM:LMPK12010282
PLKUTZNSKRWCCA-LTSKFBHWSA-O 		Tulipanin
Delphinidin 3-(6-rhamnosylglucosuide)
Delphinidin 3-rutinoside

metacyc.compound:CPD-7145
metacycM:CPD-7145
PLKUTZNSKRWCCA-LTSKFBHWSA-M 		delphinidin 3-O-rutinoside
delphinidin 3-rhamnoglucoside
tulipanin

hmdb:HMDB38001
keggC:M_C16315 		secondary/obsolete/fantasy identifier