input word = C00040612

Metabolite InformationStructural formula
Name Valdivone A
Formula C25H34O5
Mw 414.2406242
CAS RN 152130-61-5
C_ID C00040612 ,
InChIKey XGCVFFUGHHOOJA-ATVHPVEENA-N
InChICode InChI=1S/C25H34O5/c1-14(2)10-22(27)29-21-13-18-16(5)11-20(26)23(15(3)4)19(18)12-17(6)25(28)9-8-24(21,7)30-25/h8-12,15,18-19,21,23,28H,13H2,1-7H3/b17-12+/t18-,19+,21-,23-,24-,25-/m0/s1
SMILES C\1(=C/[C@@H]2[C@H](C(=CC(=O)[C@H]2C(C)C)C)C[C@@H]([C@@]2(C=C[C@@]1(O2)O)C)OC(=O)C=C(C)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAlcyoniidaeAlcyonium valdivae Ref.
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