input word = C00035080

Metabolite InformationStructural formula
Name Domesticulide B
(-)-Domesticulide B
Formula C29H36O9
Mw 528.23593275
CAS RN 915202-50-5
C_ID C00035080 ,
InChIKey VTJUVXVINSZWCE-HYZCTRNWNA-N
InChICode InChI=1S/C29H36O9/c1-16-19(8-12-28(6)24(18-10-13-36-15-18)38-21(32)14-29(16,28)34)27(5)11-9-20(31)26(3,4)23(27)22(25(33)35-7)37-17(2)30/h9-11,13,15,19,22-24,34H,1,8,12,14H2,2-7H3/t19-,22-,23-,24-,27-,28-,29-/m0/s1
SMILES C=C1C([C@@]2(C)C=CC(=O)C(C)(C)[C@@H]2C(OC(C)=O)C(=O)OC)CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)C[C@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeLansium domesticum Corr. Ref.
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