input word = C00035122

Metabolite InformationStructural formula
Name Karajinone A
Formula C35H42O12
Mw 654.26762681
CAS RN 212842-86-9
C_ID C00035122 ,
InChIKey HBLTZTMUODEVKI-QPKUNTFQNA-N
InChICode InChI=1S/C35H42O12/c1-17-14-35(47-21(5)39)26(27(17)44-19(3)37)29(45-20(4)38)34-16-43-33(7,31(35)41)28(34)25-23(32(25,6)15-42-18(2)36)13-24(34)46-30(40)22-11-9-8-10-12-22/h8-12,17,23-29H,13-16H2,1-7H3/t17-,23-,24+,25-,26+,27-,28-,29+,32+,33+,34+,35+/m0/s1
SMILES CC(=O)OC[C@@]1(C)[C@@H]2[C@@H]3[C@@]4(CO[C@@]3(C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@@H]3[C@H]4OC(C)=O)[C@H](OC(=O)c3ccccc3)C[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia decipiens Ref.
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