CHEBI:67579 - purginoside I

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ChEBI Name purginoside I
ChEBI ID CHEBI:67579
Definition A natural product found in Ipomoea purga.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C70H112O26
Net Charge 0
Average Mass 1369.62270
Monoisotopic Mass 1368.74418
InChI InChI=1S/C70H112O26/c1-9-12-14-15-17-21-29-35-48(73)91-64-63(96-66-54(79)52(77)51(76)46(38-71)88-66)59(94-68-61(90-49(74)37-36-44-30-25-23-26-31-44)55(80)57(41(6)84-68)92-65(82)39(4)11-3)43(8)86-70(64)93-58-42(7)85-69-62(56(58)81)89-47(72)34-28-22-19-16-18-20-27-33-45(32-24-13-10-2)87-67-60(95-69)53(78)50(75)40(5)83-67/h23,25-26,30-31,36-37,39-43,45-46,50-64,66-71,75-81H,9-22,24,27-29,32-35,38H2,1-8H3/b37-36+/t39-,40+,41-,42-,43-,45-,46+,50-,51+,52-,53-,54+,55+,56+,57-,58-,59-,60+,61+,62+,63+,64+,66-,67-,68-,69-,70-/m0/s1
InChIKey MFVVQPJPHUAJBA-KXXSYOAGSA-N
SMILES [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O[C@]2([H])O[C@@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](O)[C@H]2OC(=O)\C=C\c2ccccc2)[C@H](C)O[C@@]([H])(O[C@H]2[C@H](C)O[C@@]3([H])O[C@@H]4[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]4O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@@H]3[C@@H]2O)[C@@H]1OC(=O)CCCCCCCCC
Metabolite of Species Details
Ipomoea purga (NCBI:txid264534) Found in aerial part (BTO:0001658). CHCl3 extract of powdered aerial parts See: PubMed
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing purginoside I (CHEBI:67579) has role metabolite (CHEBI:25212)
purginoside I (CHEBI:67579) is a oligosaccharide (CHEBI:50699)
Citation Waiting for Citations Type Source
21446661 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:macrolide(CHEBI:25106); ISA:organooxygen compound(CHEBI:36963); HFP:tetracarboxylic acid(CHEBI:35742); ISA:cinnamate ester(CHEBI:36087); ISA:glycoside(CHEBI:24400); ISA:olefinic compound(CHEBI:78840); ISA:styrenes(CHEBI:26799); ISA:fatty acid ester(CHEBI:35748); ISA:oxanes(CHEBI:46942); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:lactone(CHEBI:25000); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586);