input word = C00003078

Metabolite InformationStructural formula
Name Didrovaltratum
Formula C22H32O8
Mw 424.209718
CAS RN 18296-45-2
C_ID C00003078 ,
InChIKey PHHROXLDZHUIGO-OTGOHPGDNA-N
InChICode InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1
SMILES [C@H]1(OC=C([C@@H]2[C@H]1[C@@]1([C@H](C2)OC(=O)C)OC1)COC(=O)CC(C)C)OC(=O)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeCentranthus spp. Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana spp. Ref.
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