Difference between revisions of "CPD-321"

Revision as of 13:11, 14 January 2021

common-name:
- 3-methoxy-4-hydroxy-5-all-trans-decaprenylbenzoate
smiles:
- cc(=cccc(=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)c)c
inchi-key:
- wcqcnoikxgndlx-rdsvhmiisa-m
molecular-weight:
- 848.323

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD66-29 ==
+== Metabolite CPD-9897 ==
 * common-name:
-** 5-androstene-3,17-dione
+** 3-methoxy-4-hydroxy-5-all-trans-decaprenylbenzoate
 * smiles:
-** cc24(ccc(=o)cc(=cc[ch]1([ch]3(ccc(=o)c(cc[ch]12)(c)3)))4)
+** cc(=cccc(=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)c)c
 * inchi-key:
-** sqgzfritsmykrh-qaggrknesa-n
+** wcqcnoikxgndlx-rdsvhmiisa-m
 * molecular-weight:
-** 286.413
+** 848.323
 == Reaction(s) known to consume the compound ==
-* [[RXN66-342]]
 == Reaction(s) known to produce the compound ==
-* [[RXN66-342]]
+* [[RXN-9282]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=5-androstene-3,17-dione}}
+{{#set: common-name=3-methoxy-4-hydroxy-5-all-trans-decaprenylbenzoate}}
-{{#set: inchi-key=inchikey=sqgzfritsmykrh-qaggrknesa-n}}
+{{#set: inchi-key=inchikey=wcqcnoikxgndlx-rdsvhmiisa-m}}
-{{#set: molecular-weight=286.413}}
+{{#set: molecular-weight=848.323}}