input word = C00020977

Metabolite InformationStructural formula
Name Handelin
Formula C32H40O8
Mw 552.27231825
CAS RN 62687-22-3
C_ID C00020977 ,
InChIKey SZQWAXGDCUONOB-WBNCJOIPNA-N
InChICode InChI=1S/C32H40O8/c1-15-7-8-19-21(15)24-22(20(38-17(3)33)13-29(19,5)36)32(27(35)40-24)14-31-12-11-28(32,4)25(31)23-18(9-10-30(31,6)37)16(2)26(34)39-23/h7,11-12,18-25,36-37H,2,8-10,13-14H2,1,3-6H3/t18-,19+,20-,21-,22+,23-,24+,25-,28?,29+,30+,31?,32-/m0/s1
SMILES [C@@H]12[C@@H]([C@@H]3[C@@H]([C@H](C[C@]1(O)C)OC(=O)C)[C@@]1(C(=O)O3)[C@]3(C=C[C@]4([C@H]3[C@@H]3[C@@H](CC[C@@]4(C)O)C(=C)C(=O)O3)C1)C)C(=CC2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHandelia trichophylla Ref.
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OrganismHandelia trichophylla
ReferenceTarasov,Khim. Prir. Soedin.,(1976),745