Difference between revisions of "CPD-12928"

Revision as of 08:30, 15 March 2021

common-name:
- brassicasterol 3-o-β-d-glucoside
smiles:
- cc(c)c(c)c=cc(c)[ch]4(cc[ch]5([ch]3(cc=c2(cc(oc1(oc(co)c(o)c(o)c(o)1))ccc(c)2[ch]3ccc(c)45))))
inchi-key:
- iluzprrjjsfyeh-bmblosqwsa-n
molecular-weight:
- 560.813

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-7013 ==
+== Metabolite CPD-13084 ==
+* common-name:
+** brassicasterol 3-o-&beta;-d-glucoside
 * smiles:
-** c=cc2(c(c)=c4(c=c9(c(c)c(ccc(=o)occ=c(c)ccc=c(c)ccc=c(c)ccc=c(c)c)c5(=n([mg]36(n1(=c(c(cc)=c([ch]=o)c1=cc=2n34)c=c7(c(c)=c8(c(=o)c(c(oc)=o)c5=c(n67)8)))))9))))
+** cc(c)c(c)c=cc(c)[ch]4(cc[ch]5([ch]3(cc=c2(cc(oc1(oc(co)c(o)c(o)c(o)1))ccc(c)2[ch]3ccc(c)45))))
-* common-name:
+* inchi-key:
-** geranylgeranyl chlorophyll b
+** iluzprrjjsfyeh-bmblosqwsa-n
 * molecular-weight:
-** 901.439
+** 560.813
 == Reaction(s) known to consume the compound ==
-* [[RXN-7673]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-7673]]
+* [[RXN-12125]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=geranylgeranyl chlorophyll b}}
+{{#set: common-name=brassicasterol 3-o-&beta;-d-glucoside}}
-{{#set: molecular-weight=901.439}}
+{{#set: inchi-key=inchikey=iluzprrjjsfyeh-bmblosqwsa-n}}
+{{#set: molecular-weight=560.813}}