input word = C00040488

Metabolite InformationStructural formula
Name Tianmushanol
(-)-Tianmushanol
Formula C39H42O14
Mw 734.25745605
CAS RN 1029518-71-5
C_ID C00040488 ,
InChIKey VAOZXVGMCZGLOH-UHEMAJMWNA-N
InChICode InChI=1S/C39H42O14/c1-15-7-8-49-25(40)5-6-26(41)50-13-17-18-11-23-34(3,19-9-22(19)37(23,47)14-51-30(15)42)24-12-36(46)21-10-20(21)35(4)29(36)28(38(18,24)52-32(17)44)27-16(2)31(43)53-39(27,48)33(35)45/h7,19-24,33,45-48H,5-6,8-14H2,1-4H3/b15-7-/t19-,20-,21+,22+,23-,24+,33-,34+,35+,36+,37+,38-,39-/m1/s1
SMILES [C@]12([C@H]3[C@]4(C5=C(C(=O)O4)COC(=O)CCC(=O)OC/C=C(\C(=O)OC[C@@]([C@@H]1C5)([C@@H]1[C@H]2C1)O)/C)C1=C2[C@@](C3)(O)[C@@H]3[C@H]([C@@]2([C@H]([C@]2(C1=C(C(=O)O2)C)O)O)C)C3)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChloranthaceaeChloranthus tianmushanensis Ref.
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