input word = C00023199

Metabolite InformationStructural formula
Name 3alpha-Angeloyloxy-2beta,15-dihydroxy-ent-labda-7,13E-dien-2-O-beta-xylopyranoside
Formula C30H48O8
Mw 536.33491851
CAS RN 107424-09-9
C_ID C00023199 ,
InChIKey GTJRXDLPZOLVKW-UTLLVJCPNA-N
InChICode InChI=1S/C30H48O8/c1-8-18(3)27(35)38-26-22(37-28-25(34)24(33)21(32)16-36-28)15-30(7)20(11-9-17(2)13-14-31)19(4)10-12-23(30)29(26,5)6/h8,10,13,20-26,28,31-34H,9,11-12,14-16H2,1-7H3/b17-13+,18-8-/t20-,21+,22+,23-,24+,25-,26-,28+,30-/m1/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](CO1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis pingraea Ref.
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OrganismBaccharis pingraea
ReferenceZdero,Phytochem.,25,(1986),2841