input word = C00020973

Metabolite InformationStructural formula
Name Biennin C
Formula C30H42O7
Mw 514.2930537
CAS RN 132536-74-4
C_ID C00020973 ,
InChIKey MINKPZFTHWCOMA-QZOUVSIVNA-N
InChICode InChI=1S/C30H42O7/c1-13-6-23-21(10-28(5)18(13)9-24(31)37-26(28)33)30(27(34)36-23)12-29-11-20(30)16(4)19(29)8-17-15(3)25(32)35-22(17)7-14(29)2/h13-15,17-18,20-24,26,31,33H,6-12H2,1-5H3/t13-,14-,15+,17-,18+,20?,21+,22-,23-,24-,26-,28+,29?,30-/m1/s1
SMILES [C@@H]12[C@](C[C@H]3[C@@H](C[C@H]1C)OC(=O)[C@@]13[C@@H]3C[C@@]4([C@@H](C[C@@H]5[C@H](CC4=C3C)[C@@H](C(=O)O5)C)C)C1)([C@@H](O[C@H](C2)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHymenoxys biennis Ref.
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