Difference between revisions of "CPD-8890"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8890 CPD-8890] == * smiles: ** C(=[N+]1(C(C([O-])=O)CC2(C1=CC(=O)C(=O)C=2)))C=C3(C=C(C(=O)[...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(=[N+]1(C(C([O-])=O)CC2(C1=CC(=O)C(=O)C=2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3) | ** C(=[N+]1(C(C([O-])=O)CC2(C1=CC(=O)C(=O)C=2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 384.301 | ** 384.301 | ||
| + | * inchi key: | ||
| + | ** InChIKey=MCTHLMSFLMEBEK-AAEUAGOBSA-L | ||
| + | * common name: | ||
| + | ** betanidin quinone | ||
* Synonym(s): | * Synonym(s): | ||
| Line 19: | Line 19: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25246300 25246300] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25246300 25246300] | ||
{{#set: smiles=C(=[N+]1(C(C([O-])=O)CC2(C1=CC(=O)C(=O)C=2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)}} | {{#set: smiles=C(=[N+]1(C(C([O-])=O)CC2(C1=CC(=O)C(=O)C=2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)}} | ||
| − | |||
| − | |||
{{#set: molecular weight=384.301 }} | {{#set: molecular weight=384.301 }} | ||
| + | {{#set: inchi key=InChIKey=MCTHLMSFLMEBEK-AAEUAGOBSA-L}} | ||
| + | {{#set: common name=betanidin quinone}} | ||
{{#set: produced by=RXN-8635}} | {{#set: produced by=RXN-8635}} | ||
Latest revision as of 12:48, 10 January 2019
Contents
Metabolite CPD-8890
- smiles:
- C(=[N+]1(C(C([O-])=O)CC2(C1=CC(=O)C(=O)C=2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)
- molecular weight:
- 384.301
- inchi key:
- InChIKey=MCTHLMSFLMEBEK-AAEUAGOBSA-L
- common name:
- betanidin quinone
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
"C(=[N+]1(C(C([O-])=O)CC2(C1=CC(=O)C(=O)C=2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)" cannot be used as a page name in this wiki.
