input word = C00023192

Metabolite InformationStructural formula
Name 3alpha-Angeloyloxy-2beta,15-dihydroxy-ent-labda-7,13E-dien-2-O-beta-fucopyranoside
Formula C31H50O8
Mw 550.35056857
CAS RN 107389-93-5
C_ID C00023192 ,
InChIKey ABAMJPLUWDIGKU-ZBPFJUIONA-N
InChICode InChI=1S/C31H50O8/c1-9-18(3)28(36)39-27-22(38-29-26(35)25(34)24(33)20(5)37-29)16-31(8)21(12-10-17(2)14-15-32)19(4)11-13-23(31)30(27,6)7/h9,11,14,20-27,29,32-35H,10,12-13,15-16H2,1-8H3/b17-14+,18-9-/t20-,21+,22-,23+,24+,25+,26-,27+,29+,31+/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)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis pingraea Ref.
PlantaeAsteraceaeBaccharis salicifolia Ref.
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