input word = C00023196

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 107389-95-7
C_ID C00023196 ,
InChIKey NLUJZWRFFGTCSK-JDNRFLFMNA-N
InChICode InChI=1S/C33H52O10/c1-9-18(2)30(39)43-29-24(42-31-27(38)26(37)28(20(4)40-31)41-21(5)36)16-33(8)23(12-11-22(17-35)14-15-34)19(3)10-13-25(33)32(29,6)7/h9-10,14,20,23-29,31,34-35,37-38H,11-13,15-17H2,1-8H3/b18-9-,22-14-/t20-,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)/CO)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.
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OrganismBaccharis pingraea
ReferenceZdero,Phytochem.,25,(1986),2841