Difference between revisions of "SJ18760"

Revision as of 14:19, 26 August 2019

common-name:
- glycyrrhetinate
smiles:
- cc4(c)(c3(ccc2(c)(c1(c)(ccc5([ch](c1=cc(c2c(c)3ccc(o)4)=o)cc(c([o-])=o)(c)cc5)c))))
inchi-key:
- mpdghejmbkotsu-vopryamfsa-m
molecular-weight:
- 469.683

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-4 CPD1F-4] ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14483 CPD-14483] ==
 * common-name:
-** (3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-&beta;-caroten-12'-al
+** glycyrrhetinate
 * smiles:
-** cc(=cc=cc=c(c)c=o)c=cc=c(c)c=c=c1(c(o)(c)cc(o)cc(c)(c)1)
+** cc4(c)(c3(ccc2(c)(c1(c)(ccc5([ch](c1=cc(c2c(c)3ccc(o)4)=o)cc(c([o-])=o)(c)cc5)c))))
 * inchi-key:
-** mfdugtooxgorrx-orglzdqcsa-n
+** mpdghejmbkotsu-vopryamfsa-m
 * molecular-weight:
-** 382.542
+** 469.683
 == Reaction(s) known to consume the compound ==
 == Reaction(s) known to produce the compound ==
-* [[RXN-698]]
+* [[RXN-13494]]
+* [[RXN-13506]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(3s,5r,6r)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-&beta;-caroten-12'-al}}
+{{#set: common-name=glycyrrhetinate}}
-{{#set: inchi-key=inchikey=mfdugtooxgorrx-orglzdqcsa-n}}
+{{#set: inchi-key=inchikey=mpdghejmbkotsu-vopryamfsa-m}}
-{{#set: molecular-weight=382.542}}
+{{#set: molecular-weight=469.683}}