CHEBI:6989 - Montanin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Montanin
ChEBI ID CHEBI:6989
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H48O8
Net Charge 0
Average Mass 560.720
Monoisotopic Mass 560.33492
InChI InChI=1S/C32H48O8/c1-6-7-8-9-10-11-12-13-14-15-30-38-25-23-26-29(18-33,37-26)27(35)31(36)22(16-20(4)24(31)34)32(23,40-30)21(5)17-28(25,39-30)19(2)3/h16,21-23,25-27,33,35-36H,2,6-15,17-18H2,1,3-5H3/t21-,22-,23-,25-,26+,27-,28-,29+,30?,31-,32+/m1/s1
InChIKey SNFRINMTRPQQLE-JQWAAABSSA-N
SMILES CCCCCCCCCCCC12O[C@@H]3[C@@H]4[C@@H]5O[C@]5(CO)[C@@H](O)[C@@]5(O)[C@@H](C=C(C)C5=O)[C@@]4(O1)[C@H](C)C[C@@]3(O2)C(C)=C
ChEBI Ontology
Outgoing Montanin (CHEBI:6989) is a diterpenoid (CHEBI:23849)
Synonym Source
Montanin KEGG COMPOUND
Manual Xrefs Databases
C00003455 KNApSAcK
C09135 KEGG COMPOUND
View more database links
Registry Number Type Source
66583-55-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014