input word = C00045389

Metabolite InformationStructural formula
Name Pulcherralpin
Formula C30H40O7
Mw 512.27740363
CAS RN 105389-29-5
C_ID C00045389 ,
InChIKey QDVSQQYDMLUPGR-UMAOWVCPNA-N
InChICode InChI=1S/C30H40O7/c1-18-20(16-24(33)36-5)22(31)17-21-25(18)26(34)27(30(35)28(2,3)14-9-15-29(21,30)4)37-23(32)13-12-19-10-7-6-8-11-19/h6-8,10-13,18,20-21,25-27,34-35H,9,14-17H2,1-5H3/b13-12+/t18-,20-,21-,25-,26+,27+,29+,30+/m0/s1
SMILES C1CC([C@]2([C@](C1)([C@@H]1[C@@H]([C@H]([C@H]2OC(=O)/C=C/c2ccccc2)O)[C@H]([C@@H](C(=O)C1)CC(=O)OC)C)C)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia pulcherrima Ref.
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