Difference between revisions of "SJ02440"

Revision as of 09:23, 27 August 2019

common-name:
- pelargonidin-3-o-β-d-glucoside
smiles:
- c(o)c1(c(o)c(o)c(o)c(o1)oc3(=cc4(=c([o+]=c(c2(=cc=c(o)c=c2))3)c=c(c=c([o-])4)[o-])))
inchi-key:
- abvcubuixwjyse-gqupqbgvsa-m
molecular-weight:
- 431.375

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7222 CPD-7222] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PELARGONIDIN-3-GLUCOSIDE-CMPD PELARGONIDIN-3-GLUCOSIDE-CMPD] ==
 * common-name:
-** (2e)-dodec-2-enoyl-coa
+** pelargonidin-3-o-&beta;-d-glucoside
 * smiles:
-** cccccccccc=cc(sccnc(ccnc(c(c(cop(op(occ3(oc(n2(c1(=c(c(=nc=n1)n)n=c2)))c(c3op([o-])([o-])=o)o))([o-])=o)([o-])=o)(c)c)o)=o)=o)=o
+** c(o)c1(c(o)c(o)c(o)c(o1)oc3(=cc4(=c([o+]=c(c2(=cc=c(o)c=c2))3)c=c(c=c([o-])4)[o-])))
 * inchi-key:
-** irfyvbulxzmede-xcfippspsa-j
+** abvcubuixwjyse-gqupqbgvsa-m
 * molecular-weight:
-** 943.792
+** 431.375
 == Reaction(s) known to consume the compound ==
-* [[ECOAH5]]
+* [[RXN-7828]]
-* [[ECOAH5h]]
-* [[ECOAH5m]]
-* [[RXN-14262]]
-* [[RXN-7931]]
 == Reaction(s) known to produce the compound ==
-* [[ACOA120OR]]
-* [[ECOAH5]]
-* [[ECOAH5h]]
-* [[ECOAH5m]]
-* [[RXN-14262]]
-* [[RXN-7931]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(2e)-dodec-2-enoyl-coa}}
+{{#set: common-name=pelargonidin-3-o-&beta;-d-glucoside}}
-{{#set: inchi-key=inchikey=irfyvbulxzmede-xcfippspsa-j}}
+{{#set: inchi-key=inchikey=abvcubuixwjyse-gqupqbgvsa-m}}
-{{#set: molecular-weight=943.792}}
+{{#set: molecular-weight=431.375}}