input word = C00039653

Metabolite InformationStructural formula
Name Lophodiol B
(-)-Lophodiol B
Formula C22H26O9
Mw 434.15768243
CAS RN 918131-02-9
C_ID C00039653 ,
InChIKey HDOFLMSTYCZGEX-HBKKJINVNA-N
InChICode InChI=1S/C22H26O9/c1-10(2)12-5-14-13(9-23)6-15(29-14)18(25)21(4,27)8-16-19-22(31-19,20(26)30-16)17(7-12)28-11(3)24/h6,9,12,16-19,25,27H,1,5,7-8H2,2-4H3/t12-,16-,17+,18-,19-,21+,22-/m0/s1
SMILES c12oc(c(c1)C=O)C[C@@H](C[C@H]([C@]13[C@H]([C@@H](OC1=O)C[C@@]([C@H]2O)(C)O)O3)OC(=O)C)C(=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Leptogorgia laxa Ref.
--Lophogorgia peruana Ref.
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