Feedback

2-Decarboxyphyllocactin

Properties

Image

Occurences in reactions

MNX_ID

MNXM116682

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

formula

C₂₆H₂₉N₂O₁₄

charge

mass

593.16133

reference

hmdb:HMDB0036379

InChIKey

OEXQKBBFDKRFJS-UHFFFAOYSA-O

InChI

InChI=1S/C26H28N2O14/c29-16-8-15-12(2-4-28(15)3-1-11-5-13(24(36)37)27-14(6-11)25(38)39)7-17(16)41-26-23(35)22(34)21(33)18(42-26)10-40-20(32)9-19(30)31/h1,3,5,7-8,14,18,21-23,26,33-35H,2,4,6,9-10H2,(H4,29,30,31,36,37,38,39)/p+1

SMILES

O=C(O)CC(=O)OCC1OC(Oc2cc3c(cc2O)/[N+](=C\C=C2\C=C(C(=O)O)NC(C(=O)O)C2)CC3)C(O)C(O)C1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0036379	2-Decarboxyphyllocactin (1Z)-5-[(6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-1-{2-[(4E)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-6-hydroxy-2,3-dihydro-1H-1lambda⁵-indol-1-ylium (1Z)-5-[(6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-1-{2-[(4E)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene}-6-hydroxy-2,3-dihydro-1H-1lambda⁵-indol-1-ylium 2-Descarboxyphyllocactin
hmdb:HMDB36379	secondary/obsolete/fantasy identifier