input word = C00058563

Metabolite InformationStructural formula
Name Kihadalactone B
Formula C30H42O8
Mw 530.28796832
CAS RN 142546-00-7
C_ID C00058563
InChIKey HJPHEKIKOJMFTJ-PEPNARDUSA-N
InChICode InChI=1S/C30H42O8/c1-16(31)36-23-13-22-27(3,4)38-26(34)14-24(37-17(2)32)30(22,7)21-10-11-28(5)19(18-12-25(33)35-15-18)8-9-20(28)29(21,23)6/h9,18-19,21-24H,8,10-15H2,1-7H3/t18-,19-,21-,22-,23+,24-,28-,29-,30+/m0/s1
SMILES CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H]([C@@H]5COC(=O)C5)[C@]4(C)CC[C@@H]3[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhellodendron amurense Ref.
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