CHEBI:6679 - Mancinellin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Mancinellin
ChEBI ID CHEBI:6679
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C36H52O8
Net Charge 0
Average Mass 612.795
Monoisotopic Mass 612.36622
InChI InChI=1S/C36H52O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(38)43-34-21-24(3)35(41)25-20-23(2)29(39)36(25,42)31(40)33(22-37)30(44-33)27(35)28(34)32(34,4)5/h14-20,24-25,27-28,30-31,37,40-42H,6-13,21-22H2,1-5H3/b15-14+,17-16+,19-18+/t24-,25+,27-,28-,30+,31-,33+,34+,35+,36-/m1/s1
InChIKey NEZVVESVXBEHTR-YYHKZOSKSA-N
SMILES CCCCCCCCC\C=C\C=C\C=C\C(=O)O[C@@]12C[C@@H](C)[C@]3(O)[C@@H]4C=C(C)C(=O)[C@@]4(O)[C@H](O)[C@@]4(CO)O[C@H]4[C@H]3[C@@H]1C2(C)C
ChEBI Ontology
Outgoing Mancinellin (CHEBI:6679) is a monoterpenoid (CHEBI:25409)
Synonym Source
Mancinellin KEGG COMPOUND
Manual Xrefs Databases
C00003451 KNApSAcK
C09127 KEGG COMPOUND
View more database links
Registry Number Type Source
57672-76-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014