Difference between revisions of "CPD-9899"

Latest revision as of 11:18, 18 March 2021

common-name:
- 3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoate
smiles:
- cc(=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:
- dzwhypvptjpqqx-mycgwmctsa-m
molecular-weight:
- 712.086

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-7000 ==
+== Metabolite CPD-9899 ==
 * common-name:
-** isobutanal
+** 3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoate
 * smiles:
-** cc(c)[ch]=o
+** cc(=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:
-** amimrnsirudhcm-uhfffaoysa-n
+** dzwhypvptjpqqx-mycgwmctsa-m
 * molecular-weight:
-** 72.107
+** 712.086
 == Reaction(s) known to consume the compound ==
-* [[RXN-7657]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-7657]]
+* [[RXN-9280]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=isobutanal}}
+{{#set: common-name=3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoate}}
-{{#set: inchi-key=inchikey=amimrnsirudhcm-uhfffaoysa-n}}
+{{#set: inchi-key=inchikey=dzwhypvptjpqqx-mycgwmctsa-m}}
-{{#set: molecular-weight=72.107}}
+{{#set: molecular-weight=712.086}}