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 C1[C@H]2[C@]([C@]34[C@@](C1)([C@@H](OC(=O)[C@H]3O4)c1cocc1)C)([C@]1([C@@]([C@]2(/C=C\C(=O)OC)C)(C(=O)C(O1)(C)C)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeHarrisonia abyssinica Ref.
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OrganismHarrisonia abyssinica
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter58