input word = C00033301

Metabolite InformationStructural formula
Name Pictoside A
(-)-Pictoside A
Formula C41H66O13
Mw 766.4503422
CAS RN 243857-99-0
C_ID C00033301 ,
InChIKey XLRCLQVFCBYALB-JZBISKTMNA-N
InChICode InChI=1S/C41H66O13/c1-20-28(45)30(47)31(48)33(52-20)54-32-29(46)23(43)18-51-34(32)53-27-11-12-37(4)24(38(27,5)19-42)10-13-39(6)25(37)9-8-21-22-16-36(2,3)14-15-41(22,35(49)50)26(44)17-40(21,39)7/h8,20,22-34,42-48H,9-19H2,1-7H3,(H,49,50)/t20-,22-,23+,24+,25+,26+,27-,28-,29-,30+,31+,32+,33-,34+,37-,38-,39+,40+,41+/m0/s1
SMILES [C@@]12([C@H]([C@@]([C@H](CC2)O[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)(CO)C)CC[C@@]2([C@@H]1CC=C1[C@]2(C[C@H]([C@@]2([C@H]1CC(CC2)(C)C)C(=O)O)O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeKalopanax pictum Ref.
PlantaeAraliaceaeKalopanax pictus Ref.
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OrganismKalopanax pictum
ReferenceLI, et al., Chem Pharm Bull, 50, (2002), 900