input word = C00037609

Metabolite InformationStructural formula
Name Penicilloside A
(-)-Penicilloside A
Formula C41H62O15
Mw 794.40887131
CAS RN 366491-48-7
C_ID C00037609 ,
InChIKey YUBUMONLXJORTF-ZJOAVVAKNA-N
InChICode InChI=1S/C41H62O15/c1-20(52-35(48)22-9-7-6-8-10-22)25-18-28(43)41(50)39(25,4)15-13-27-38(3)14-12-24(17-23(38)11-16-40(27,41)49)54-37-32(47)34(51-5)33(21(2)53-37)56-36-31(46)30(45)29(44)26(19-42)55-36/h6-10,20-21,23-34,36-37,42-47,49-50H,11-19H2,1-5H3/t20-,21+,23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,36-,37-,38-,39+,40-,41+/m0/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@@]2([C@](CC1)([C@H](C[C@H]2O)[C@H](C)OC(=O)c1ccccc1)C)O)O)C)O[C@@H]1O[C@@H]([C@@H]([C@H]([C@H]1O)OC)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCaralluma penicillata Ref.
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OrganismCaralluma penicillata
ReferenceAbdel-Sattar,Phytochem.,57,(2001),1213