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 CPD1G-1344 ==
+== Metabolite CPD-13080 ==
 * common-name:
-** &alpha;, &alpha;'-trehalose 6-&alpha;-mycolate
+** solasodine
 * smiles:
-** ccccccccccccccccccccccccccc(c(o)cccccccccccccccc2(cc(ccccccccccc1(cc(cccccccccccccccccc)1))2))c(=o)occ3(oc(c(c(c3o)o)o)oc4(c(c(c(c(o4)co)o)o)o))
+** cc1(cnc2(cc1)(c(c)c3([ch](o2)cc4(c(c)3cc[ch]5([ch]4cc=c6(c(c)5ccc(o)c6))))))
 * inchi-key:
-** haspjlrxbagtid-bgzciimlsa-n
+** kwvisvamqjwjsz-rqommasjsa-n
 * molecular-weight:
-** 1462.341
+** 413.642
 == Reaction(s) known to consume the compound ==
+* [[RXN-12123]]
 == Reaction(s) known to produce the compound ==
-* [[RXN1G-1435]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=&alpha;, &alpha;'-trehalose 6-&alpha;-mycolate}}
+{{#set: common-name=solasodine}}
-{{#set: inchi-key=inchikey=haspjlrxbagtid-bgzciimlsa-n}}
+{{#set: inchi-key=inchikey=kwvisvamqjwjsz-rqommasjsa-n}}
-{{#set: molecular-weight=1462.341}}
+{{#set: molecular-weight=413.642}}