input word = C00057551

Metabolite InformationStructural formula
Name Pitheduloside A
Formula C41H66O13
Mw 766.4503422
CAS RN 78285-89-9
C_ID C00057551
InChIKey YOFVOAYCIARLQE-JYTHRGSDSA-N
InChICode InChI=1S/C41H66O13/c1-36(2)14-15-41(35(49)50)21(16-36)20-8-9-25-38(5)12-11-27(37(3,4)24(38)10-13-39(25,6)40(20,7)17-26(41)43)54-34-32(48)30(46)29(45)23(53-34)19-52-33-31(47)28(44)22(42)18-51-33/h8,21-34,42-48H,9-19H2,1-7H3,(H,49,50)/t21-,22-,23+,24-,25+,26+,27-,28-,29+,30-,31+,32+,33-,34-,38-,39+,40+,41+/m0/s1
SMILES C[C@@]12C[C@@H](O)[C@@]3(C(O)=O)CCC(C)(C)C[C@@]3([H])C1=CC[C@]4([H])[C@@]5(C)CC[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)O6)C(C)(C)[C@@]([H])5CC[C@@]24C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePithecellobium dulce Ref.
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