input word = C00023413

Metabolite InformationStructural formula
Name 3alpha-Angeloyloxy-18beta-glucopyranosyloxy-ent-labd-8(17),13-dien-15,16-olide
Formula C31H46O10
Mw 578.30909769
CAS RN 99624-44-9
C_ID C00023413 ,
InChIKey FAUQATJNQHZECY-VZSPDJQPNA-N
InChICode InChI=1S/C31H46O10/c1-6-17(2)28(37)41-23-11-12-30(4)20(9-8-19-13-24(33)38-15-19)18(3)7-10-22(30)31(23,5)16-39-29-27(36)26(35)25(34)21(14-32)40-29/h6,13,20-23,25-27,29,32,34-36H,3,7-12,14-16H2,1-2,4-5H3/b17-6+/t20-,21-,22+,23-,25-,26+,27-,29-,30-,31-/m1/s1
SMILES C1[C@H]([C@@]([C@@H]2[C@](C1)([C@@H](C(=C)CC2)CCC1=CC(=O)OC1)C)(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)OC(=O)/C(=C/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGutierrezia solbrigii Ref.
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