input word = C00030868

Metabolite InformationStructural formula
Name Oblonganoside A
(-)-Oblonganoside A
Formula C38H58O10
Mw 674.40299807
CAS RN 943021-88-3
C_ID C00030868 ,
InChIKey XNXBBAVPDDPLJE-PNAFBSLWNA-N
InChICode InChI=1S/C38H58O10/c1-20-9-14-38(33(44)48-32-31(43)30(42)29(41)23(17-39)46-32)16-15-36(5)22(28(38)21(20)2)7-8-25-34(3)12-11-26-35(4,19-45-27(18-40)47-26)24(34)10-13-37(25,36)6/h7,23-32,39-43H,8-19H2,1-6H3/t23-,24-,25-,26+,27-,28+,29-,30+,31-,32+,34+,35+,36-,37-,38+/m1/s1
SMILES CC1=C(C)[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@@H]6O[C@H](CO)OC[C@@]6(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex oblonga Ref.
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