CHEBI:8595 - Protoveratrine B

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ChEBI Name Protoveratrine B
ChEBI ID CHEBI:8595
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C41H63NO15
Net Charge 0
Average Mass 809.938
Monoisotopic Mass 809.41977
InChI InChI=1S/C41H63NO15/c1-10-19(3)34(47)56-33-28(46)27-23(17-42-16-18(2)11-12-25(42)38(27,9)50)24-15-39-32(40(24,33)51)30(54-22(6)45)29(53-21(5)44)31-36(39,7)14-13-26(41(31,52)57-39)55-35(48)37(8,49)20(4)43/h18-20,23-33,43,46,49-52H,10-17H2,1-9H3/t18-,19+,20+,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,36-,37-,38+,39+,40-,41+/m0/s1
InChIKey BFLXOMFFVWQPAZ-WLZWUCNJSA-N
SMILES CC[C@@H](C)C(=O)O[C@H]1[C@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]2C[C@@]34O[C@@]5(O)[C@@H]([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3[C@]12O)[C@]4(C)CC[C@@H]5OC(=O)[C@@](C)(O)[C@@H](C)O
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 alkaloid )
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ChEBI Ontology
Outgoing Protoveratrine B (CHEBI:8595) is a alkaloid (CHEBI:22315)
Synonym Source
Protoveratrine B KEGG COMPOUND
Manual Xrefs Databases
C00002257 KNApSAcK
C10816 KEGG COMPOUND
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Registry Number Type Source
124-97-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014