CHEBI:3339 - Camellidin II

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Camellidin II
ChEBI ID CHEBI:3339
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C53H84O24
Net Charge 0
Average Mass 1105.222
Monoisotopic Mass 1104.53525
InChI InChI=1S/C53H84O24/c1-48(2)13-10-21-22(57)16-52(7)28(53(21,69)20-48)9-8-27-50(5)14-12-29(49(3,4)26(50)11-15-51(27,52)6)73-47-42(77-45-37(65)34(62)31(59)24(18-55)71-45)39(38(66)40(75-47)43(67)68)74-46-41(35(63)32(60)25(19-56)72-46)76-44-36(64)33(61)30(58)23(17-54)70-44/h9,21,23-27,29-42,44-47,54-56,58-66,69H,8,10-20H2,1-7H3,(H,67,68)/t21-,23-,24-,25-,26+,27-,29+,30-,31+,32+,33+,34+,35+,36-,37-,38+,39+,40+,41-,42-,44+,45+,46+,47-,50+,51-,52-,53+/m1/s1
InChIKey IILVEMAGCSQHDC-SDYIUMBZSA-N
SMILES CC1(C)CC[C@@H]2C(=O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@]2(O)C1
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Camellidin II (CHEBI:3339) is a triterpenoid saponin (CHEBI:61778)
Synonym Source
Camellidin II KEGG COMPOUND
Manual Xrefs Databases
C00003508 KNApSAcK
C08934 KEGG COMPOUND
View more database links
Registry Number Type Source
96827-23-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014