input word = C00054064

Metabolite InformationStructural formula
Name Deglucocoroloside
Formula C29H44O7
Mw 504.30870376
CAS RN 57361-72-5
C_ID C00054064
InChIKey NQOMDNMTNVQXRR-TYRDMYGMSA-N
InChICode InChI=1S/C29H44O7/c1-16-26(32)23(30)14-25(35-16)36-19-6-9-27(2)18(13-19)4-5-22-21(27)7-10-28(3)20(8-11-29(22,28)33)17-12-24(31)34-15-17/h12,16,18-23,25-26,30,32-33H,4-11,13-15H2,1-3H3/t16-,18-,19+,20-,21+,22-,23+,25+,26+,27+,28-,29+/m1/s1
SMILES C[C@@]12[C@@](CC[C@@]2(C3=CC(OC3)=O)[H])(O)[C@]4([H])CC[C@]5([H])C[C@@H](O[C@H]6C[C@H](O)[C@@H](O)[C@@H](C)O6)CC[C@]5(C)[C@@]4([H])CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeCorchorus olitorius Ref.
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