input word = C00049768

Metabolite InformationStructural formula
Name 12-epi-Scalaradial
Formula C27H40O4
Mw 428.29265977
CAS RN 72300-72-2
C_ID C00049768 ,
InChIKey ADWFEADZGIHPDE-HWRLPOOMNA-N
InChICode InChI=1S/C27H40O4/c1-17(30)31-23-14-22-25(4)12-7-11-24(2,3)20(25)10-13-26(22,5)21-9-8-18(15-28)19(16-29)27(21,23)6/h8,15-16,19-23H,7,9-14H2,1-6H3/t19-,20-,21-,22+,23+,25-,26-,27-/m0/s1
SMILES C1[C@]2([C@H](C(CC1)(C)C)CC[C@@]1([C@@H]2C[C@H]([C@@]2([C@H]1CC=C([C@@H]2C=O)C=O)C)OC(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Spongia agaricina Ref.
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