input word = C00036117

Metabolite InformationStructural formula
Name Gamboukokoenside B
Formula C35H54O9
Mw 618.37678332
CAS RN 638209-29-7
C_ID C00036117 ,
InChIKey OZJBGTJJVJYLTA-BPLPSHQRNA-N
InChICode InChI=1S/C35H54O9/c1-30(2)11-13-35(18-36)14-12-32(4)19(20(35)15-30)7-8-23-31(3)10-9-24(39)34(6,27(31)21(37)16-33(23,32)5)29(42)44-28-26(41)25(40)22(38)17-43-28/h7,20-23,25-28,36-38,40-41H,8-18H2,1-6H3/t20-,21+,22-,23+,25-,26-,27+,28+,31+,32+,33+,34+,35+/m0/s1
SMILES CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(C(=O)O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapotaceaeGambeya boukokoensis Ref.
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