input word = C00022293

Metabolite InformationStructural formula
Name 3alpha,20-Diacetoxy-2alpha-angeloyloxy-9alpha,13R-epoxy-7,14-labdadiene
Formula C29H42O7
Mw 502.2930537
CAS RN 125206-05-5
C_ID C00022293 ,
InChIKey DZHJNEKNLMZJNB-UFYMJLAHNA-N
InChICode InChI=1S/C29H42O7/c1-10-18(3)25(32)35-22-16-28(17-33-20(5)30)23(26(7,8)24(22)34-21(6)31)13-12-19(4)29(28)15-14-27(9,11-2)36-29/h10-12,22-24H,2,13-17H2,1,3-9H3/b18-10-/t22-,23-,24-,27+,28-,29-/m1/s1
SMILES [C@@H]1([C@H](C([C@@H]2[C@](C1)([C@@]1(C(=CC2)C)O[C@](CC1)(C=C)C)COC(=O)C)(C)C)OC(=O)C)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeWaitzia acuminata Ref.
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