input word = C00060674

Metabolite InformationStructural formula
Name (3beta,5alpha,22R,23R)-3-[(4-O-beta-D-Glucopyranosyl-beta-D-galactopyranosyl)oxy]-22,23-dihydroxy-ergostan-6-one
Formula C40H68O14
Mw 772.46090688
CAS RN 200949-48-0
C_ID C00060674
InChIKey VLDUROHQGGNMIJ-GOWKBNTDSA-N
InChICode InChI=1S/C40H68O14/c1-17(2)18(3)29(44)30(45)19(4)22-7-8-23-21-14-26(43)25-13-20(9-11-40(25,6)24(21)10-12-39(22,23)5)51-37-35(50)33(48)36(28(16-42)53-37)54-38-34(49)32(47)31(46)27(15-41)52-38/h17-25,27-38,41-42,44-50H,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(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum lycopersicum Ref.
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OrganismSolanum lycopersicum
Referencehttps://doi.org/10.1016/S0031-9422(97)00390-7

https://doi.org/10.1016/S0031-9422(98)00037-5