CHEBI:137227 - Porrigenin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Porrigenin A
ChEBI ID CHEBI:137227
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H44O5
Net Charge 0
Average Mass 448.636
Monoisotopic Mass 448.31887
InChI InChI=1S/C27H44O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19-,20-,21-,22+,23+,24+,25+,26-,27-/m1/s1
InChIKey FYRLHXNMINIDCB-FJQPKSSRSA-N
SMILES C1[C@@H]([C@@H](C[C@@]2([C@@H](C[C@@]3([C@](CC[C@]4([C@]3(C[C@H]5[C@@H]4[C@H](C)[C@]6(OC[C@@H](CC6)C)O5)[H])C)([C@@]12C)[H])[H])O)[H])O)O
ChEBI Ontology
Outgoing Porrigenin A (CHEBI:137227) is a triterpenoid (CHEBI:36615)
Synonym Source
(25R)-5α-spirostan-2β,3β,6β-triol LIPID MAPS
Manual Xref Database
LMST01080001 LIPID MAPS
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Last Modified
31 May 2017