input word = C00053403

Metabolite InformationStructural formula
Name Karavoate P
Formula C49H64O5
Mw 732.47537515
CAS RN 1269766-68-8
C_ID C00053403
InChIKey OWTBJGHVHPDXKD-XJBDXDBXSA-N
InChICode InChI=1S/C49H64O5/c1-33(2)30-37(53-43(50)24-20-35-16-12-10-13-17-35)31-34(3)38-26-27-49(8)45-41(52-9)32-40-39(47(45,6)28-29-48(38,49)7)22-23-42(46(40,4)5)54-44(51)25-21-36-18-14-11-15-19-36/h10-21,24-25,30,32,34,37-39,41-42,45H,22-23,26-29,31H2,1-9H3/b24-20+,25-21+/t34-,37+,38-,39-,41+,42+,45-,47+,48-,49+/m1/s1
SMILES CO[C@H]1C=C2[C@@H](CC[C@H](OC(=O)/C=C/c3ccccc3)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C[C@H](C=C(C)C)OC(=O)/C=C/c4ccccc4)CC[C@@]3(C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeMomordica balsamina Ref.
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