input word = C00023195

Metabolite InformationStructural formula
Name 3alpha-Angeloyloxy-2beta,15,16-trihydroxy-ent-labda-7,13E-dien-2-O-beta-[fucopyranoside-4'-O-acetate]
Formula C33H52O10
Mw 608.35604788
CAS RN 107389-94-6
C_ID C00023195 ,
InChIKey UHUVXQZKXHSANE-DQITZCSBNA-N
InChICode InChI=1S/C33H52O10/c1-10-17(2)30(39)43-29-24(42-31-27(38)26(37)28(20(5)40-31)41-21(6)35)15-33(9)22(13-11-19(4)23(36)16-34)18(3)12-14-25(33)32(29,7)8/h10,12,20,22-29,31,34,36-38H,4,11,13-16H2,1-3,5-9H3/b17-10-/t20-,22+,23-,24-,25+,26-,27-,28+,29+,31+,33+/m0/s1
SMILES C=C(CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](OC(=O)/C(C)=CC)C(O[C@H]3OC(C)[C@@H](OC(C)=O)C(O)[C@@H]3O)C[C@@]12C)C(O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis pingraea Ref.
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