input word = C00046583

Metabolite InformationStructural formula
Name 3-O-beta-Glucopyranosyl protobassic acid
(+)-3-O-beta-Glucopyranosyl protobassic acid
Formula C36H58O11
Mw 666.3979127
CAS RN 53840-47-4
C_ID C00046583 ,
InChIKey RXWXPKXKJZHTEJ-UAYZMMHSNA-N
InChICode InChI=1S/C36H58O11/c1-31(2)9-11-36(30(44)45)12-10-34(5)18(19(36)13-31)7-8-23-32(3)14-21(40)28(33(4,17-38)27(32)20(39)15-35(23,34)6)47-29-26(43)25(42)24(41)22(16-37)46-29/h7,19-29,37-43H,8-17H2,1-6H3,(H,44,45)/t19-,20+,21-,22+,23+,24+,25-,26+,27+,28-,29-,32+,33-,34+,35+,36-/m0/s1
SMILES CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapotaceaeMadhuca longifolia Ref.
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