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 C1[C@@H]2[C@]([C@H]([C@@H](C1(C)C)O)OC(=O)C)([C@@H]([C@@H]([C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O)C)C)C)O)O)COC(=O)[C@@H](CC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLecythidaceaeBarringtonia racemosa Ref.
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