Difference between revisions of "CPD-13084"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13084 CPD-13084] == * smiles: ** CC(C)C(C)C=CC(C)[CH]4(CC[CH]5([CH]3(CC=C2(CC(OC1(OC(CO)C(O...") |
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| Line 3: | Line 3: | ||
* smiles: | * 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)))) | ** 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)))) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 560.813 | ** 560.813 | ||
| + | * inchi key: | ||
| + | ** InChIKey=ILUZPRRJJSFYEH-BMBLOSQWSA-N | ||
| + | * common name: | ||
| + | ** brassicasterol 3-O-β-D-glucoside | ||
* Synonym(s): | * Synonym(s): | ||
** 3-O-β-D-brassicasterol-glucoside | ** 3-O-β-D-brassicasterol-glucoside | ||
| Line 19: | Line 19: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=102515016 102515016] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=102515016 102515016] | ||
| + | * CAS : 51587-44-1 | ||
{{#set: 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))))}} | {{#set: 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))))}} | ||
| − | |||
| − | |||
{{#set: molecular weight=560.813 }} | {{#set: molecular weight=560.813 }} | ||
| + | {{#set: inchi key=InChIKey=ILUZPRRJJSFYEH-BMBLOSQWSA-N}} | ||
| + | {{#set: common name=brassicasterol 3-O-β-D-glucoside}} | ||
{{#set: common name=3-O-β-D-brassicasterol-glucoside|β-D-glucopyranoside, (3β,22E)-ergosta-5,22-dien-3-yl|3-O-β-D-glucosyl-brassicasterol}} | {{#set: common name=3-O-β-D-brassicasterol-glucoside|β-D-glucopyranoside, (3β,22E)-ergosta-5,22-dien-3-yl|3-O-β-D-glucosyl-brassicasterol}} | ||
{{#set: produced by=RXN-12125}} | {{#set: produced by=RXN-12125}} | ||
Latest revision as of 16:26, 10 January 2019
Contents
Metabolite CPD-13084
- 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))))
- molecular weight:
- 560.813
- inchi key:
- InChIKey=ILUZPRRJJSFYEH-BMBLOSQWSA-N
- common name:
- brassicasterol 3-O-β-D-glucoside
- Synonym(s):
- 3-O-β-D-brassicasterol-glucoside
- β-D-glucopyranoside, (3β,22E)-ergosta-5,22-dien-3-yl
- 3-O-β-D-glucosyl-brassicasterol
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
- CAS : 51587-44-1
"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))))" cannot be used as a page name in this wiki.
