Difference between revisions of "CPD-13080"

Latest revision as of 11:14, 18 March 2021

common-name:
- solasodine
smiles:
- cc1(cnc2(cc1)(c(c)c3([ch](o2)cc4(c(c)3cc[ch]5([ch]4cc=c6(c(c)5ccc(o)c6))))))
inchi-key:
- kwvisvamqjwjsz-rqommasjsa-n
molecular-weight:
- 413.642

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-9091 ==
+== Metabolite CPD-13080 ==
+* common-name:
+** solasodine
 * smiles:
-** cc=c5(c(c)c9(n6([mg]27(n1(c(c(c)c(ccc(=o)occ=c(c)cccc(c)cccc(c)cccc(c)c)c=1c4([c-](c(oc)=o)c(=o)c3(=c(c)c(n2c3=4)=cc5=6)))=cc8(=c(c)c(c(c)=o)=c(n78)c=9))))))
+** cc1(cnc2(cc1)(c(c)c3([ch](o2)cc4(c(c)3cc[ch]5([ch]4cc=c6(c(c)5ccc(o)c6))))))
-* common-name:
+* inchi-key:
-** bacteriochlorophyll b
+** kwvisvamqjwjsz-rqommasjsa-n
 * molecular-weight:
-** 908.494
+** 413.642
 == Reaction(s) known to consume the compound ==
+* [[RXN-12123]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-17482]]
-* [[RXN-17483]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=bacteriochlorophyll b}}
+{{#set: common-name=solasodine}}
-{{#set: molecular-weight=908.494}}
+{{#set: inchi-key=inchikey=kwvisvamqjwjsz-rqommasjsa-n}}
+{{#set: molecular-weight=413.642}}