input word = C00055841

Metabolite InformationStructural formula
Name Eriantic acid B
Formula C30H48O5
Mw 488.35017464
CAS RN 116348-15-3
C_ID C00055841
InChIKey JXSVIVRDWWRQRT-SYHACYDZSA-N
InChICode InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20+,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1
SMILES C[C@@H]1CC[C@]2(C(O)=O)CC[C@@]3(C)[C@]4(C)CC[C@@]5([H])[C@](C)(CO)[C@@H](O)[C@@H](O)C[C@]5(C)[C@@]4([H])CC=C3[C@]2([H])[C@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex asprella Ref.
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