input word = C00029507

Metabolite InformationStructural formula
Name 3-O-Acetylpomolic acid
Pomolic acid acetate
Formula C32H50O5
Mw 514.36582471
CAS RN 15914-62-2
C_ID C00029507 ,
InChIKey KIJYSICAJWQCER-ADDIGHRONA-N
InChICode InChI=1S/C32H50O5/c1-19-11-16-32(26(34)35)18-17-29(6)21(25(32)31(19,8)36)9-10-23-28(5)14-13-24(37-20(2)33)27(3,4)22(28)12-15-30(23,29)7/h9,19,22-25,36H,10-18H2,1-8H3,(H,34,35)/t19-,22+,23-,24+,25-,28+,29-,30-,31-,32+/m1/s1
SMILES CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@H]5[C@](C(=O)O)(CC[C@@H](C)[C@@]5(C)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMorinda citrifolia L. Ref.
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OrganismMorinda citrifolia L.
ReferenceTakashima,Chem.Pharm.Bull.,55,(2007),343