OntologiesslmclassesCHEBI:67852   
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pescaprein XXIIImported
http://purl.obolibrary.org/obo/CHEBI_67852

A resin glycoside that is the pentasaccharide derivative of jalapinolic acid. Isolated from the aerial parts of Ipomoea pes-caprae, it has been found to exhibit potential inhibitory effect against multidrug resistance in the human breast cancer cell line.

Defined bychebi
Related Synonyms
(11S)-jalapinolic acid 11-O-alpha-L-rhamnopyranosyl-(1->3)-O-[2-O-(trans-cinnamoyl)-4-O-(2S-methylbutanoyl)-alpha-L-rhamnopyranosyl-(1->4)]-O-[2-O-n-dodecanoyl]-alpha-L-rhamnopyranosyl-(1->4)-O-alpha-L-rhamnopyranosyl-(1->2)-O-beta-D-fucopyranoside-(1,3''-lactone)
class Information
charge

0

formula

C72H116O25

has_dbxref
has_obo_namespace

chebi_ontology

inchi

InChI=1S/C72H116O25/c1-10-13-15-16-17-18-21-24-32-38-50(74)92-66-65(97-68-56(80)54(78)52(76)42(5)84-68)61(95-71-64(91-51(75)40-39-47-33-28-26-29-34-47)57(81)59(44(7)87-71)93-67(83)41(4)12-3)46(9)88-72(66)94-60-45(8)86-69-58(82)62(60)90-49(73)37-31-25-22-19-20-23-30-36-48(35-27-14-11-2)89-70-63(96-69)55(79)53(77)43(6)85-70/h26,28-29,33-34,39-46,48,52-66,68-72,76-82H,10-25,27,30-32,35-38H2,1-9H3/b40-39+/t41-,42-,43+,44-,45-,46-,48-,52-,53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63+,64+,65+,66+,68-,69-,70-,71-,72-/m0/s1

inchikey

CSINLULLXMOZES-GMYURCAZSA-N

in_subset

3_STAR

mass

1381.67640

monoisotopicmass

1380.78057

smiles

CCCCCCCCCCCC(=O)O[C@H]1[C@H](O[C@H]2[C@H](C)O[C@H]3O[C@@H]4[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]4O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@H]2[C@H]3O)O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](O)[C@H]2OC(=O)\C=C\c2ccccc2)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O

class Relations