input word = C00060673

Metabolite InformationStructural formula
Name (3beta,5alpha,22R,23R)-3-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-22,23-dihydroxy-ergostan-6-one
Formula C40H68O14
Mw 772.46090688
CAS RN 200949-46-8
C_ID C00060673
InChIKey RLRVOEIFUPCQQE-IZJWLHBTSA-N
InChICode InChI=1S/C40H68O14/c1-17(2)18(3)29(43)30(44)19(4)22-7-8-23-21-14-26(42)25-13-20(9-11-40(25,6)24(21)10-12-39(22,23)5)52-38-36(50)34(48)32(46)28(54-38)16-51-37-35(49)33(47)31(45)27(15-41)53-37/h17-25,27-38,41,43-50H,7-16H2,1-6H3/t18-,19+,20+,21+,22-,23+,24+,25-,27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40-/m1/s1
SMILES CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)CCC4(C)C3CCC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum lycopersicum Ref.
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