Difference between revisions of "CPD-13081"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13081 CPD-13081] == * smiles: ** CC1(CNC2(CC1)(C(C)C3([CH](O2)CC4(C(C)3CC[CH]5([CH]4CC=C7(C...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC1(CNC2(CC1)(C(C)C3([CH](O2)CC4(C(C)3CC[CH]5([CH]4CC=C7(C(C)5CCC(OC6(OC(CO)C(O)C(O)C(O)6))C7)))))) | ** CC1(CNC2(CC1)(C(C)C3([CH](O2)CC4(C(C)3CC[CH]5([CH]4CC=C7(C(C)5CCC(OC6(OC(CO)C(O)C(O)C(O)6))C7)))))) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 575.784 | ** 575.784 | ||
| + | * inchi key: | ||
| + | ** InChIKey=XMLLJGHZPHTUKK-KJNRMUPVSA-N | ||
| + | * common name: | ||
| + | ** solasodine 3-O-β-D-glucoside | ||
* Synonym(s): | * Synonym(s): | ||
** solasodine 3-O-β-D-glucose | ** solasodine 3-O-β-D-glucose | ||
| Line 24: | Line 24: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=102515426 102515426] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=102515426 102515426] | ||
{{#set: smiles=CC1(CNC2(CC1)(C(C)C3([CH](O2)CC4(C(C)3CC[CH]5([CH]4CC=C7(C(C)5CCC(OC6(OC(CO)C(O)C(O)C(O)6))C7))))))}} | {{#set: smiles=CC1(CNC2(CC1)(C(C)C3([CH](O2)CC4(C(C)3CC[CH]5([CH]4CC=C7(C(C)5CCC(OC6(OC(CO)C(O)C(O)C(O)6))C7))))))}} | ||
| − | |||
| − | |||
{{#set: molecular weight=575.784 }} | {{#set: molecular weight=575.784 }} | ||
| + | {{#set: inchi key=InChIKey=XMLLJGHZPHTUKK-KJNRMUPVSA-N}} | ||
| + | {{#set: common name=solasodine 3-O-β-D-glucoside}} | ||
{{#set: common name=solasodine 3-O-β-D-glucose|β-D-glucopyranoside, (3β,22α,25R)-spirosol-5-en-3-yl|solasod-5-ene|γ-solamargine|solasodine 3-O-β-D-glucopyranoside}} | {{#set: common name=solasodine 3-O-β-D-glucose|β-D-glucopyranoside, (3β,22α,25R)-spirosol-5-en-3-yl|solasod-5-ene|γ-solamargine|solasodine 3-O-β-D-glucopyranoside}} | ||
{{#set: produced by=RXN-12123}} | {{#set: produced by=RXN-12123}} | ||
Latest revision as of 11:14, 10 January 2019
Contents
Metabolite CPD-13081
- smiles:
- CC1(CNC2(CC1)(C(C)C3([CH](O2)CC4(C(C)3CC[CH]5([CH]4CC=C7(C(C)5CCC(OC6(OC(CO)C(O)C(O)C(O)6))C7))))))
- molecular weight:
- 575.784
- inchi key:
- InChIKey=XMLLJGHZPHTUKK-KJNRMUPVSA-N
- common name:
- solasodine 3-O-β-D-glucoside
- Synonym(s):
- solasodine 3-O-β-D-glucose
- β-D-glucopyranoside, (3β,22α,25R)-spirosol-5-en-3-yl
- solasod-5-ene
- γ-solamargine
- solasodine 3-O-β-D-glucopyranoside
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
"CC1(CNC2(CC1)(C(C)C3([CH](O2)CC4(C(C)3CC[CH]5([CH]4CC=C7(C(C)5CCC(OC6(OC(CO)C(O)C(O)C(O)6))C7))))))" cannot be used as a page name in this wiki.
