input word = C00040613

Metabolite InformationStructural formula
Name Valdivone B
Formula C28H34O5
Mw 450.2406242
CAS RN 152110-08-2
C_ID C00040613 ,
InChIKey WLDJDLOEPXUINW-RGEXLXHINA-N
InChICode InChI=1S/C28H34O5/c1-17(2)26-22-14-19(4)28(31)12-11-27(5,33-28)24(16-21(22)18(3)13-23(26)29)32-25(30)15-20-9-7-6-8-10-20/h6-14,17,21-22,24,26,31H,15-16H2,1-5H3/b19-14+/t21-,22+,24-,26-,27+,28-/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)Cc1ccccc1)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAlcyoniidaeAlcyonium valdivae Ref.
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