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=C1C(=O)O[C@@H]2[C@@H]3[C@@]4(C=C[C@@]3(C)[C@]3(C4)C(=O)O[C@@H]4[C@H]5C(C)=CC[C@H]5[C@](C)(O)C[C@H](OC(C)=O)[C@H]43)[C@](C)(O)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHandelia trichophylla Ref.
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