input word = C00023193

Metabolite InformationStructural formula
Name 3alpha-Angeloyloxy-2beta,15-dihydroxy-ent-labda-7,13E-dien-2-O-beta-[fucopyranoside-4'-O-acetate]
Formula C33H52O9
Mw 592.36113326
CAS RN 107439-17-8
C_ID C00023193 ,
InChIKey IUPUSRDATISFTN-AONBVMMRNA-N
InChICode InChI=1S/C33H52O9/c1-10-19(3)30(38)42-29-24(41-31-27(37)26(36)28(21(5)39-31)40-22(6)35)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@H]1([C@H](C([C@@H]2[C@](C1)([C@@H](C(=CC2)C)CC/C(=C/CO)/C)C)(C)C)OC(=O)/C(=C\C)/C)O[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)OC(=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis pingraea Ref.
PlantaeAsteraceaeBaccharis salicifolia Ref.
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