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CHEBI:5833 - Hypercalin B

ChEBI IDCHEBI:5833
ChEBI NameHypercalin B
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC33H42O5
Net Charge0
Average Mass518.694
Monoisotopic Mass518.30322
SMILES[H][C@@]1(CC2=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C2O)[C@@H](C(=C)C)CC[C@]1(C)O
InChIInChI=1S/C33H42O5/c1-20(2)13-17-33(18-14-21(3)4)30(36)25(19-26-24(22(5)6)15-16-32(26,7)38)29(35)27(31(33)37)28(34)23-11-9-8-10-12-23/h8-14,24,26,35-36,38H,5,15-19H2,1-4,6-7H3/t24-,26-,32+/m1/s1
InChIKeyNTCBJJMOLYDOIE-OKQRBPQJSA-N
ChEBI Ontology
Outgoing Relation(s)
Hypercalin B (CHEBI:5833) is a monoterpenoid (CHEBI:25409)
Synonym  Source
Hypercalin BKEGG COMPOUND
Manual XrefsDatabases
C09941KEGG COMPOUND
C00002997KNApSAcK
Registry NumbersSources
CAS:125583-45-1KEGG COMPOUND