input word = C00003543

Metabolite InformationStructural formula
Name Pittoside A
Formula C41H68O14
Mw 784.46090688
CAS RN 75303-44-5
C_ID C00003543 ,
InChIKey LZHFOLKKTHKKLN-BZRHMZAJNA-N
InChICode InChI=1S/C41H68O14/c1-18-29(55-34-27(46)25(44)21(43)16-52-34)26(45)28(47)35(53-18)54-24-12-13-38(6)22(37(24,4)5)11-14-39(7)23(38)10-9-19-20-15-36(2,3)30(48)32(50)41(20,17-42)33(51)31(49)40(19,39)8/h9,18,20-35,42-51H,10-17H2,1-8H3/t18-,20-,21+,22-,23?,24-,25+,26-,27+,28+,29-,30-,31-,32-,33+,34+,35-,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]1[C@]([C@@H]([C@@H]2O)O)([C@H]([C@@H](C(C1)(C)C)O)O)CO)C)C)C)(C)C)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePittosporaceaePittosporum nilghrense Ref.
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