CHEBI:5069 - Flaccidin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Flaccidin B
ChEBI ID CHEBI:5069
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C41H64O12
Net Charge 0
Average Mass 748.941
Monoisotopic Mass 748.43978
InChI InChI=1S/C41H64O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-27,29-34,42-43,45-47H,9-20H2,1-7H3,(H,48,49)/t22-,23+,24+,25-,26+,27-,29+,30-,31+,32+,33-,34-,38-,39+,40+,41-/m0/s1
InChIKey OPTUUKHEYUERDZ-BNYPRUPSSA-N
SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O)C(=O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
ChEBI Ontology
Outgoing Flaccidin B (CHEBI:5069) is a triterpenoid (CHEBI:36615)
Synonym Source
Flaccidin B KEGG COMPOUND
Manual Xrefs Databases
C00003517 KNApSAcK
C00024135 KNApSAcK
C08943 KEGG COMPOUND
View more database links
Registry Number Type Source
117585-05-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014