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Tulipanin

MNXM148202 is deprecated and here replaced by MNXM1106803
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1106803

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₂₇H₃₁O₁₆

charge

mass

611.16066

reference

chebi:80441

InChIKey

PLKUTZNSKRWCCA-LTSKFBHWSA-O

InChI

InChI=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

SMILES

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)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
Identifier	Description
seed.compound:cpd15031 seedM:cpd15031 CHEBI:80441 chebi:80441 kegg.compound:C16315 keggC:C16315	Tulipanin Delphinidin 3-O-rutinoside
hmdb:HMDB0038001	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
metacyc.compound:CPD-7145 metacycM:CPD-7145	delphinidin 3-O-rutinoside delphinidin 3-rhamnoglucoside tulipanin
hmdb:HMDB38001 keggC:M_C16315 seedM:M_cpd15031	secondary/obsolete/fantasy identifier