input word = C00023194

Metabolite InformationStructural formula
Name 3alpha-Angeloyloxy-2beta,15-dihydroxy-ent-labda-7,13E-dien-2-O-beta-[fucopyranoside-3'-O-acetate]
Formula C33H52O9
Mw 592.36113326
CAS RN 107390-18-1
C_ID C00023194 ,
InChIKey OUPWATZPEVLKGS-GPGIQGHYNA-N
InChICode InChI=1S/C33H52O9/c1-10-19(3)30(38)42-29-24(41-31-27(37)28(40-22(6)35)26(36)21(5)39-31)17-33(9)23(13-11-18(2)15-16-34)20(4)12-14-25(33)32(29,7)8/h10,12,15,21,23-29,31,34,36-37H,11,13-14,16-17H2,1-9H3/b18-15+,19-10-/t21-,23+,24-,25+,26+,27-,28+,29+,31+,33+/m0/s1
SMILES C/C=C(/C)C(=O)O[C@@H]1C(O[C@H]2OC(C)[C@@H](O)C(OC(C)=O)[C@@H]2O)C[C@@]2(C)[C@H](CC/C(C)=C/CO)C(C)=CC[C@@H]2C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis pingraea Ref.
PlantaeAsteraceaeBaccharis salicifolia Ref.
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