input word = C00024084

Metabolite InformationStructural formula
Name Balaenonol
Formula C28H34O4
Mw 434.24570957
CAS RN 115028-52-9
C_ID C00024084 ,
InChIKey ISDNLLFRTOZJTF-YUKIOEDRNA-N
InChICode InChI=1S/C28H34O4/c1-14-11-21-27(5)10-9-26(4)18(8-7-17-16(3)24(31)20(29)12-19(17)26)22(27)15(2)13-28(21,6)25(32)23(14)30/h7-8,12,14,21,23,30-31H,9-11,13H2,1-6H3/t14-,21+,23-,26-,27+,28-/m1/s1
SMILES CC1=C2C3=CC=C4C(=CC(=O)C(O)=C4C)[C@]3(C)CC[C@@]2(C)[C@@H]2C[C@@H](C)[C@@H](O)C(=O)[C@]2(C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeElaeodendron balae KOSTERM. Ref.
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