input word = C00020717

Metabolite InformationStructural formula
Name 3-Hydroxyambrosin damsinate
Formula C30H38O6
Mw 494.26683895
CAS RN
C_ID C00020717 ,
InChIKey PWJFZARIWKCLLC-OESHRBQSNA-N
InChICode InChI=1S/C30H38O6/c1-15-7-9-19(14-29(5)21(15)11-12-24(29)31)17(3)27(33)35-23-13-22-16(2)8-10-20-18(4)28(34)36-26(20)30(22,6)25(23)32/h13,15-16,19-22,26H,3-4,7-12,14H2,1-2,5-6H3/t15-,16-,19+,20-,21-,22-,26+,29-,30-/m0/s1
SMILES [C@@H]12[C@](C[C@@H](CC[C@@H]1C)C(=C)C(=O)OC1=C[C@@H]3[C@@](C1=O)([C@H]1[C@@H](CC[C@@H]3C)C(=C)C(=O)O1)C)(C(=O)CC2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAmbrosia hispida Ref.
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OrganismAmbrosia hispida
ReferenceHerz,Phytochem.,20,(1981),1601