input word = C00047556

Metabolite InformationStructural formula
Name Racemosol A
(+)-Racemosol A
Formula C37H60O8
Mw 632.42881889
CAS RN 1133437-28-1
C_ID C00047556 ,
InChIKey JPXCXKPLNCDTCM-XSPRJUPFNA-N
InChICode InChI=1S/C37H60O8/c1-11-20(2)31(43)44-19-37-23(18-32(4,5)29(42)30(37)45-21(3)38)22-12-13-25-34(8)16-15-26(39)33(6,7)24(34)14-17-35(25,9)36(22,10)27(40)28(37)41/h12,20,23-30,39-42H,11,13-19H2,1-10H3/t20-,23+,24+,25-,26+,27+,28-,29+,30+,34+,35-,36+,37+/m1/s1
SMILES CCC(C)C(=O)OC[C@@]12[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]1CC(C)(C)[C@@H](O)[C@@H]2OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLecythidaceaeBarringtonia racemosa Ref.
zoom in