input word = C00044419

Metabolite InformationStructural formula
Name 12-epi-Deoxoscalarin
(-)-12-epi-Deoxoscalarin
Formula C27H42O4
Mw 430.30830983
CAS RN 64825-80-5
C_ID C00044419 ,
InChIKey IDZDIJBVDDHIIM-HCGCUTSQNA-N
InChICode InChI=1S/C27H42O4/c1-16(28)31-21-14-20-25(4)12-7-11-24(2,3)18(25)10-13-26(20,5)19-9-8-17-15-30-23(29)22(17)27(19,21)6/h8,18-23,29H,7,9-15H2,1-6H3/t18-,19-,20+,21+,22+,23+,25-,26-,27+/m0/s1
SMILES CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]2CC=C3CO[C@@H](O)[C@@H]3[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Spongia agaricina Ref.
--Spongia sp. Ref.
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