input word = C00057980

Metabolite InformationStructural formula
Name Spinacoside D
Formula C40H60O14
Mw 764.39830663
CAS RN 182322-58-3
C_ID C00057980
InChIKey WEUHEQAOZHTARY-JWOAMYESSA-N
InChICode InChI=1S/C40H60O14/c1-35(2)14-16-40(34(49)50)17-15-38(6)20(21(40)18-35)8-9-23-37(5)12-11-24(36(3,4)22(37)10-13-39(23,38)7)52-32-27(44)28(26(43)29(54-32)30(45)46)53-33(31(47)48)51-19-25(41)42/h8,21-24,26-29,32-33,43-44H,9-19H2,1-7H3,(H,41,42)(H,45,46)(H,47,48)(H,49,50)/t21-,22-,23+,24-,26-,27+,28-,29-,32+,33-,37-,38+,39+,40-/m0/s1
SMILES CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@H](OCC(=O)O)C(=O)O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBasellaceaeBasella rubra Ref.
PlantaeChenopodiaceaeSpinacia oleracea Ref.
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