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CHEBI:5643 - Heliotrine

ChEBI IDCHEBI:5643
ChEBI NameHeliotrine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H27NO5
Net Charge0
Average Mass313.394
Monoisotopic Mass313.18892
SMILES[H][C@]12C(COC(=O)[C@](O)(C(C)C)[C@@H](C)OC)=CCN1CC[C@@H]2O
InChIInChI=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
InChIKeyLMFKRLGHEKVMNT-UJDVCPFMSA-N
ChEBI Ontology
Outgoing Relation(s)
Heliotrine (CHEBI:5643) is a pyrrolizines (CHEBI:38522)
Synonyms  Source
HeliotrineKEGG COMPOUND
9-HeliotrylheliotridineKEGG COMPOUND
Manual XrefsDatabases
C10324KEGG COMPOUND
C00002090KNApSAcK
Registry NumbersSources
CAS:303-33-3KEGG COMPOUND