input word = C00035186

Metabolite InformationStructural formula
Name (20S)-3beta-Acetoxylupan-29-oic acid
Formula C32H52O4
Mw 500.38656015
CAS RN 105645-77-0
C_ID C00035186 ,
InChIKey XNJAMPWVGPBWJX-ATPISSAQNA-N
InChICode InChI=1S/C32H52O4/c1-19(27(34)35)21-11-14-29(5)17-18-31(7)22(26(21)29)9-10-24-30(6)15-13-25(36-20(2)33)28(3,4)23(30)12-16-32(24,31)8/h19,21-26H,9-18H2,1-8H3,(H,34,35)/t19-,21-,22+,23+,24+,25-,26+,29+,30-,31+,32+/m0/s1
SMILES C1[C@@H](C([C@@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@@H]1[C@@](CC2)(CC[C@H]1[C@@H](C(=O)O)C)C)C)C)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeFicus microcarpa Ref.
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