input word = C00013201

Metabolite InformationStructural formula
Name Mortonin C
(5alpha,5abeta,6beta,9alpha,9abeta)-5,6-bis(Benzoyloxy)-5,5a,6,7,8,9-hexahydro-9-hydroxy-2,2,5a,9-tetramethyl-1-benzoxepin-9a(2H)-carboxylic acid
Formula C29H32O8
Mw 508.209718
CAS RN 67991-38-2
C_ID C00013201 ,
InChIKey MSODVHHPKJJTBU-GWEIYDPINA-N
InChICode InChI=1S/C29H32O8/c1-26(2)17-15-21(35-23(30)19-11-7-5-8-12-19)28(4)22(36-24(31)20-13-9-6-10-14-20)16-18-27(3,34)29(28,37-26)25(32)33/h5-15,17,21-22,34H,16,18H2,1-4H3,(H,32,33)/t21-,22-,27-,28+,29-/m1/s1
SMILES [C@@]12([C@@H](CC[C@]([C@]1(OC(C=C[C@H]2OC(=O)c1ccccc1)(C)C)C(=O)O)(O)C)OC(=O)c1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMortonia greggii Ref.
PlantaeCelastraceaeMortonia hidalgensis Ref.
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