input word = C00003714

Metabolite InformationStructural formula
Name Harrisonin
Formula C27H32O10
Mw 516.19954724
CAS RN 62026-30-6
C_ID C00003714 ,
InChIKey DYNIRWNERRSOEV-IGQYWSBWNA-N
InChICode InChI=1S/C27H32O10/c1-21(2)20(30)25(31)22(3,11-8-16(28)33-6)15-7-10-23(4)17(14-9-12-34-13-14)35-19(29)18-26(23,36-18)24(15,5)27(25,32)37-21/h8-9,11-13,15,17-18,31-32H,7,10H2,1-6H3/b11-8-/t15-,17+,18-,22+,23+,24-,25+,26-,27+/m1/s1
SMILES COC(=O)/C=C[C@]1(C)[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@]2(C)[C@]2(O)OC(C)(C)C(=O)[C@@]21O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeHarrisonia abyssinica Ref.
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