input word = C00012405

Metabolite InformationStructural formula
Name Mikagoyanolide
Formula C30H40O6
Mw 496.28248901
CAS RN 83790-32-3
C_ID C00012405 ,
InChIKey FNBSQBZLLFPWJX-MWLUUJQSNA-N
InChICode InChI=1S/C30H40O6/c1-17-7-6-8-18(2)13-26-30(25(32)12-17,16-27(33)36-26)15-22-10-9-19(3)11-23(31)28-21(5)29(34)35-24(28)14-20(22)4/h8,11-12,14,22-26,28,31-32H,5-7,9-10,13,15-16H2,1-4H3/b17-12+,18-8+,19-11-,20-14?/t22-,23-,24+,25-,26-,28-,30-/m1/s1
SMILES C\1(=C/[C@H]([C@@H]2[C@H](/C=C(/[C@H](CC1)C[C@@]13[C@H](OC(=O)C1)C/C(=C/CC/C(=C/[C@H]3O)/C)/C)\C)OC(=O)C2=C)O)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMikania goyazensis Ref.
PlantaeAsteraceaeMikania pohlii Ref.
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