input word = C00003623

Metabolite InformationStructural formula
Name Hellebrigenin 3-acetate
Formula C26H34O7
Mw 458.23045344
CAS RN 4064-09-9
C_ID C00003623 ,
InChIKey VIOBLZMEZRNYRR-WSASBQDBNA-N
InChICode InChI=1S/C26H34O7/c1-16(28)33-18-5-10-24(15-27)20-6-9-23(2)19(17-3-4-22(29)32-14-17)8-12-26(23,31)21(20)7-11-25(24,30)13-18/h3-4,14-15,18-21,30-31H,5-13H2,1-2H3/t18-,19+,20-,21+,23+,24-,25-,26-/m0/s1
SMILES C1[C@@H](C[C@@]2([C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](CC2)c1ccc(=O)oc1)C)O)C=O)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMelianthaceaeBersama abyssinica Ref.
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