Difference between revisions of "CPDMETA-13652"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPDMETA-13652 CPDMETA-13652] == * smiles: ** CC3(N5(C2(C1(=NC6(=CC=CC=C(C41(C(C(C(C2)C(CO)3)C(C...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC3(N5(C2(C1(=NC6(=CC=CC=C(C41(C(C(C(C2)C(CO)3)C(C4)5)OC(=O)C))6))))) | ** CC3(N5(C2(C1(=NC6(=CC=CC=C(C41(C(C(C(C2)C(CO)3)C(C4)5)OC(=O)C))6))))) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 352.432 | ** 352.432 | ||
| + | * inchi key: | ||
| + | ** InChIKey=XIMPCXFLDSKALH-VQHWPEDHSA-N | ||
| + | * common name: | ||
| + | ** raucaffrinoline | ||
* Synonym(s): | * Synonym(s): | ||
** (17R,20α,21β)-1,2-didehydro-1-demethyl-19-hydroxy-21-methyl-18-norajmalan-17-yl acetate | ** (17R,20α,21β)-1,2-didehydro-1-demethyl-19-hydroxy-21-methyl-18-norajmalan-17-yl acetate | ||
| Line 20: | Line 20: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659323 90659323] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659323 90659323] | ||
{{#set: smiles=CC3(N5(C2(C1(=NC6(=CC=CC=C(C41(C(C(C(C2)C(CO)3)C(C4)5)OC(=O)C))6)))))}} | {{#set: smiles=CC3(N5(C2(C1(=NC6(=CC=CC=C(C41(C(C(C(C2)C(CO)3)C(C4)5)OC(=O)C))6)))))}} | ||
| − | |||
| − | |||
{{#set: molecular weight=352.432 }} | {{#set: molecular weight=352.432 }} | ||
| + | {{#set: inchi key=InChIKey=XIMPCXFLDSKALH-VQHWPEDHSA-N}} | ||
| + | {{#set: common name=raucaffrinoline}} | ||
{{#set: common name=(17R,20α,21β)-1,2-didehydro-1-demethyl-19-hydroxy-21-methyl-18-norajmalan-17-yl acetate}} | {{#set: common name=(17R,20α,21β)-1,2-didehydro-1-demethyl-19-hydroxy-21-methyl-18-norajmalan-17-yl acetate}} | ||
{{#set: produced by=RXN-12673}} | {{#set: produced by=RXN-12673}} | ||
Latest revision as of 11:48, 10 January 2019
Contents
Metabolite CPDMETA-13652
- smiles:
- CC3(N5(C2(C1(=NC6(=CC=CC=C(C41(C(C(C(C2)C(CO)3)C(C4)5)OC(=O)C))6)))))
- molecular weight:
- 352.432
- inchi key:
- InChIKey=XIMPCXFLDSKALH-VQHWPEDHSA-N
- common name:
- raucaffrinoline
- Synonym(s):
- (17R,20α,21β)-1,2-didehydro-1-demethyl-19-hydroxy-21-methyl-18-norajmalan-17-yl acetate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
