Difference between revisions of "DUMP"

Revision as of 11:14, 15 January 2021

common-name:
- 3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate
smiles:
- cc(c)=cccc(=cccc(=cccc(=cccc(=cccc(=cccc(=cccc(=cccc(=ccc1(=c(c(oc)=cc(c([o-])=o)=c1)o))c)c)c)c)c)c)c)c
inchi-key:
- fdppbyxdoxrdha-jsgwljpksa-m
molecular-weight:
- 780.205

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-20680 ==
+== Metabolite CPD-9898 ==
 * common-name:
-** diadinoxanthin
+** 3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate
 * smiles:
-** cc(c=cc=c(c#cc1(=c(c)cc(o)cc(c)(c)1))c)=cc=cc=c(c)c=cc=c(c)c=cc23(c(c)(c)cc(o)cc(c)(o2)3)
+** cc(c)=cccc(=cccc(=cccc(=cccc(=cccc(=cccc(=cccc(=cccc(=ccc1(=c(c(oc)=cc(c([o-])=o)=c1)o))c)c)c)c)c)c)c)c
 * inchi-key:
-** oghzcsinimwcsb-ghiqlmqgsa-n
+** fdppbyxdoxrdha-jsgwljpksa-m
 * molecular-weight:
-** 582.865
+** 780.205
 == Reaction(s) known to consume the compound ==
-* [[RXN-19200]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-19202]]
+* [[RXN-9281]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=diadinoxanthin}}
+{{#set: common-name=3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate}}
-{{#set: inchi-key=inchikey=oghzcsinimwcsb-ghiqlmqgsa-n}}
+{{#set: inchi-key=inchikey=fdppbyxdoxrdha-jsgwljpksa-m}}
-{{#set: molecular-weight=582.865}}
+{{#set: molecular-weight=780.205}}