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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:5643 - Heliotrine
Main
ChEBI Ontology
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ChEBI Name
Heliotrine
ChEBI ID
CHEBI:5643
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C16H27NO5
Net Charge
0
Average Mass
313.390
Monoisotopic Mass
313.18892
InChI
InChI=1S/C16H27NO5/c1-
10(2)
16(20,11(3)
21-
4)
15(19)
22-
9-
12-
5-
7-
17-
8-
6-
13(18)
14(12)
17/h5,10-
11,13-
14,18,20H,6-
9H2,1-
4H3/t11-
,13+,14-
,16+/m1/s1
InChIKey
LMFKRLGHEKVMNT-UJDVCPFMSA-N
SMILES
CO[C@H](C)[C@@](O)(C(C)C)C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12
ChEBI Ontology
Outgoing
Heliotrine (
CHEBI:5643
)
is a
pyrrolizines (
CHEBI:38522
)
Synonyms
Sources
9-Heliotrylheliotridine
KEGG COMPOUND
Heliotrine
KEGG COMPOUND
Manual Xrefs
Databases
C00002090
KNApSAcK
C10324
KEGG COMPOUND
View more database links
Registry Number
Type
Source
303-33-3
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014