CHEBI:6372 - Lanceotoxin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Lanceotoxin B
ChEBI ID CHEBI:6372
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H44O11
Net Charge 0
Average Mass 604.686
Monoisotopic Mass 604.28836
InChI InChI=1S/C32H44O11/c1-17-25(36)26(37)27(38)28(41-17)42-20-6-11-30(16-33)22-7-10-29(3)21(19-4-5-24(35)40-15-19)9-13-32(29,39)23(22)8-12-31(30,14-20)43-18(2)34/h4-5,15-17,20-23,25-28,36-39H,6-14H2,1-3H3/t17-,20-,21+,22-,23+,25-,26+,27+,28-,29+,30-,31-,32-/m0/s1
InChIKey IKNIMVNUBXHADS-YGGZPGJKSA-N
SMILES C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@@]3(C2)OC(C)=O)c2ccc(=O)oc2)[C@H](O)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing Lanceotoxin B (CHEBI:6372) has functional parent bufanolide (CHEBI:22934)
Lanceotoxin B (CHEBI:6372) is a steroid lactone (CHEBI:26766)
Synonym Source
Lanceotoxin B KEGG COMPOUND
Manual Xrefs Databases
C00003629 KNApSAcK
C08873 KEGG COMPOUND
View more database links
Registry Number Type Source
93802-98-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014