input word = C00024083

Metabolite InformationStructural formula
Name Balaenol
Formula C28H36O3
Mw 420.26644502
CAS RN 115031-67-9
C_ID C00024083 ,
InChIKey BPKSFYCMZKFDCC-HGVSCVTONA-N
InChICode InChI=1S/C28H36O3/c1-15-11-23-26(4,14-22(15)30)13-16(2)24-19-8-7-18-17(3)25(31)21(29)12-20(18)27(19,5)9-10-28(23,24)6/h7-8,12,15,22-23,30-31H,9-11,13-14H2,1-6H3/t15-,22+,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[C@]2(C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeElaeodendron balae KOSTERM. Ref.
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