input word = C00036509

Metabolite InformationStructural formula
Name 3,12-Diacetyl-7-angeloyl-8-methoxyingol
Formula C30H42O9
Mw 546.28288294
CAS RN 90027-10-4
C_ID C00036509 ,
InChIKey TYBOWMPGVAEWCC-WHJJXVBCNA-N
InChICode InChI=1S/C30H42O9/c1-11-14(2)27(34)38-22-15(3)12-30-26(37-19(7)32)16(4)13-29(30,39-30)25(33)17(5)23(36-18(6)31)20-21(24(22)35-10)28(20,8)9/h11-12,16-17,20-24,26H,13H2,1-10H3/b14-11-,15-12+/t16-,17+,20-,21+,22+,23-,24-,26-,29-,30-/m0/s1
SMILES C/C=C(/C)C(=O)O[C@@H]1/C(C)=C/[C@@]23O[C@@]2(C[C@H](C)[C@@H]3OC(C)=O)C(=O)[C@H](C)[C@H](OC(C)=O)[C@@H]2[C@H]([C@@H]1OC)C2(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia nivulia Ref.
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