input word = C00010487

Metabolite InformationStructural formula
Name Arbortristoside E
Formula C27H34O13
Mw 566.19994117
CAS RN 129277-52-7
C_ID C00010487 ,
InChIKey BFVPQNASGKMXJQ-JDEZUNIONA-N
InChICode InChI=1S/C27H34O13/c1-12-18-19(22(31)20(12)29)15(25(34)36-3)10-38-26(18)40-27-24(33)23(32)21(30)16(39-27)11-37-17(28)9-6-13-4-7-14(35-2)8-5-13/h4-10,12,16,18-24,26-27,29-33H,11H2,1-3H3/b9-6+/t12-,16-,18-,19-,20-,21-,22+,23+,24+,26+,27+/m1/s1
SMILES [C@H]12[C@H]([C@@H](OC=C1C(=O)OC)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)COC(=O)/C=C/c1ccc(cc1)OC)[C@H]([C@H]([C@H]2O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeNyctanthes arbor-tristis Ref.
zoom in