input word = C00044422

Metabolite InformationStructural formula
Name 12-O-Deacetyl-12-epi-scalarin
(-)-12-O-Deacetyl-12-epi-scalarin
Formula C25H38O4
Mw 402.2770097
CAS RN 508193-31-5
C_ID C00044422 ,
InChIKey ATVQOEWPZTUPDT-FBSCCJLLNA-N
InChICode InChI=1S/C25H38O4/c1-22(2)10-6-11-23(3)15(22)9-12-24(4)16-8-7-14-19(21(28)29-20(14)27)25(16,5)18(26)13-17(23)24/h7,15-19,21,26,28H,6,8-13H2,1-5H3/t15-,16-,17+,18+,19+,21+,23-,24-,25+/m0/s1
SMILES O1C(=O)C2=CC[C@@H]3[C@@]([C@H]2[C@@H]1O)([C@@H](C[C@H]1[C@]3(CC[C@@H]2[C@@]1(CCCC2(C)C)C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Spongia sp. Ref.
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