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 C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(C[C@H]([C@@H]1[C@@]3(C[C@@H]([C@@H]([C@]1(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)C)O)C)C(=O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapotaceaeMadhuca longifolia Ref.
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