input word = C00013165

Metabolite InformationStructural formula
Name [3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)]-Octahydro-5a-(hydroxymethyl)-2,2,9-trimethyl-, 6,7,10-triacetate 5-benzoate 2H-3,9a-methano-1-benzoxepin-5,6,7,10-tetrol
Formula C28H36O10
Mw 532.23084737
CAS RN 128397-60-4
C_ID C00013165 ,
InChIKey GMWUKGFIBNNUQU-UHFFFAOYNA-N
InChICode InChI=1S/C28H36O10/c1-15-12-21(34-16(2)30)24(36-18(4)32)27(14-29)22(37-25(33)19-10-8-7-9-11-19)13-20-23(35-17(3)31)28(15,27)38-26(20,5)6/h7-11,15,20-24,29H,12-14H2,1-6H3/t15-,20+,21-,22+,23-,24-,27+,28+/m1/s1
SMILES CC(=O)OC1CC(C)C23OC(C)(C)C(CC(OC(=O)c4ccccc4)C2(CO)C1OC(C)=O)C3OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus chubutensis Ref.
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